(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane

C14H33N3 — CID 171532216

IUPAC(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
SMILESCC.CCC/C(N)=C/N(N)CCCCC(C)C
InChIInChI=1S/C12H27N3.C2H6/c1-4-7-12(13)10-15(14)9-6-5-8-11(2)3;1-2/h10-11H,4-9,13-14H2,1-3H3;1-2H3/b12-10-;
InChIKeyHBRSAIBMDGPMSH-BBJSDXRSSA-N
MW243.44 g/mol
LogP3.61
Rot. Bonds8

About (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane

(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane (PubChem CID 171532216) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
PubChem CID171532216
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
SMILESCC.CCC/C(N)=C/N(N)CCCCC(C)C
InChIInChI=1S/C12H27N3.C2H6/c1-4-7-12(13)10-15(14)9-6-5-8-11(2)3;1-2/h10-11H,4-9,13-14H2,1-3H3;1-2H3/b12-10-;
InChIKeyHBRSAIBMDGPMSH-BBJSDXRSSA-N
XLogP3.61
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine;ethene
CID 145052912
(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine
CID 143907009
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane (CID 171532216) is (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane is CC.CCC/C(N)=C/N(N)CCCCC(C)C.
What is the InChIKey of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane?
The InChIKey is HBRSAIBMDGPMSH-BBJSDXRSSA-N. The full InChI is InChI=1S/C12H27N3.C2H6/c1-4-7-12(13)10-15(14)9-6-5-8-11(2)3;1-2/h10-11H,4-9,13-14H2,1-3H3;1-2H3/b12-10-;.
What are the key properties of (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane?
(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane has a molecular weight of 243.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane is sourced from PubChem (CID 171532216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).