N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide

C19H39N5O2 — CID 171554404

IUPACN-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide
SMILESCCCCCN(N)/C=C(\N)C(=O)NCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C19H39N5O2/c1-4-5-10-13-24(21)15-17(20)19(26)23-12-9-7-6-8-11-22-18(25)14-16(2)3/h15-16H,4-14,20-21H2,1-3H3,(H,22,25)(H,23,26)/b17-15-
InChIKeyAFHMSIZTCBWIPA-ICFOKQHNSA-N
MW369.55 g/mol
LogP1.99
Rot. Bonds15

About N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide

N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide (PubChem CID 171554404) has the molecular formula C19H39N5O2 and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide
PubChem CID171554404
Molecular FormulaC19H39N5O2
Molecular Weight369.55 g/mol
Exact Mass369.31
IUPAC NameN-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide
SMILESCCCCCN(N)/C=C(\N)C(=O)NCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C19H39N5O2/c1-4-5-10-13-24(21)15-17(20)19(26)23-12-9-7-6-8-11-22-18(25)14-16(2)3/h15-16H,4-14,20-21H2,1-3H3,(H,22,25)(H,23,26)/b17-15-
InChIKeyAFHMSIZTCBWIPA-ICFOKQHNSA-N
XLogP1.99
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide with MolForge

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Related Compounds

ethane;3-methyl-N-nonylbutanamide;prop-1-ene
CID 170638874
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
(E)-2,3-diamino-N-hexylprop-2-enamide
CID 89150750
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-tetradecylpentanamide
CID 87172595
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane
CID 143772095
N,N'-diheptyloxamide
CID 3417538
N'-docosyldocosanediamide
CID 91257562
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
22-(docosanoylamino)docosanamide
CID 90926402

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide?
The IUPAC name of N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide (CID 171554404) is N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide?
The canonical SMILES for N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide is CCCCCN(N)/C=C(\N)C(=O)NCCCCCCNC(=O)CC(C)C.
What is the InChIKey of N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide?
The InChIKey is AFHMSIZTCBWIPA-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H39N5O2/c1-4-5-10-13-24(21)15-17(20)19(26)23-12-9-7-6-8-11-22-18(25)14-16(2)3/h15-16H,4-14,20-21H2,1-3H3,(H,22,25)(H,23,26)/b17-15-.
What are the key properties of N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide?
N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide has a molecular weight of 369.55 g/mol, XLogP of 1.99, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(Z)-2-amino-3-[amino(pentyl)amino]prop-2-enoyl]amino]hexyl]-3-methylbutanamide is sourced from PubChem (CID 171554404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).