N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine

C15H32N4 — CID 58965145

IUPACN,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
SMILESC=C(C)NCCCNCCCNCCCNC(=C)C
InChIInChI=1S/C15H32N4/c1-14(2)18-12-6-10-16-8-5-9-17-11-7-13-19-15(3)4/h16-19H,1,3,5-13H2,2,4H3
InChIKeyNPDWTCXVXMCWDR-UHFFFAOYSA-N
MW268.45 g/mol
LogP1.58
Rot. Bonds14

About N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine

N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine (PubChem CID 58965145) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
PubChem CID58965145
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
SMILESC=C(C)NCCCNCCCNCCCNC(=C)C
InChIInChI=1S/C15H32N4/c1-14(2)18-12-6-10-16-8-5-9-17-11-7-13-19-15(3)4/h16-19H,1,3,5-13H2,2,4H3
InChIKeyNPDWTCXVXMCWDR-UHFFFAOYSA-N
XLogP1.58
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(prop-1-en-2-ylamino)ethanol
CID 15413083
(NZ)-N-[5-(prop-1-en-2-ylamino)pentan-2-ylidene]hydroxylamine
CID 145467915
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
4,5,6-trimethyl-N-prop-1-en-2-ylheptan-1-amine
CID 139504017
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine
CID 145423239
4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
(2Z)-2-hydroxyimino-N-[3-[3-[[(2Z)-2-hydroxyiminopropanoyl]amino]propylamino]propyl]propanamide
CID 6411323

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine?
The IUPAC name of N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine (CID 58965145) is N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine is C=C(C)NCCCNCCCNCCCNC(=C)C.
What is the InChIKey of N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine?
The InChIKey is NPDWTCXVXMCWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-14(2)18-12-6-10-16-8-5-9-17-11-7-13-19-15(3)4/h16-19H,1,3,5-13H2,2,4H3.
What are the key properties of N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine?
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine has a molecular weight of 268.45 g/mol, XLogP of 1.58, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 58965145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).