(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene

C16H35N3 — CID 144944957

IUPAC(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene
SMILESC=C.CCCCCN(N)/C=C(\N)CCCCC(C)C
InChIInChI=1S/C14H31N3.C2H4/c1-4-5-8-11-17(16)12-14(15)10-7-6-9-13(2)3;1-2/h12-13H,4-11,15-16H2,1-3H3;1-2H2/b14-12-;
InChIKeyRGLCZYKRROIFJB-CTMPBGLUSA-N
MW269.48 g/mol
LogP4.17
Rot. Bonds10

About (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene

(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene (PubChem CID 144944957) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene.

Molecular Properties

Compound Name(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene
PubChem CID144944957
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene
SMILESC=C.CCCCCN(N)/C=C(\N)CCCCC(C)C
InChIInChI=1S/C14H31N3.C2H4/c1-4-5-8-11-17(16)12-14(15)10-7-6-9-13(2)3;1-2/h12-13H,4-11,15-16H2,1-3H3;1-2H2/b14-12-;
InChIKeyRGLCZYKRROIFJB-CTMPBGLUSA-N
XLogP4.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.17
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[amino(5-methylhexyl)amino]-6-methylhept-1-en-1-amine
CID 134358830
1-[(3R)-4,5-dimethyl-3-(2-methylpropyl)hexa-1,5-dien-2-yl]diazinane;ethenamine
CID 142205316
(Z)-1-[amino(butyl)amino]-5-methylhex-1-en-2-amine
CID 143646889
diazene;ethane;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
CID 143845115
(Z)-1-[amino(butyl)amino]oct-1-en-2-amine;ethene
CID 143876797
(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine;ethene
CID 143907008
N-[(Z)-1-[amino(4-methylpentyl)amino]oct-1-en-2-yl]methanimine;ethane;methanimine
CID 143961676
ethane;methanimine;(Z)-1-N-(methylideneamino)-1-N-(4-methylpentyl)oct-1-ene-1,2-diamine
CID 144001775
(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethane;ethene
CID 144029139
(Z)-1-[amino(hexyl)amino]hex-1-en-2-amine;ethane;ethene
CID 144332499
(Z)-1-[amino(propyl)amino]oct-1-en-2-amine;ethene
CID 144332504
(Z)-1-[amino(5-methylheptyl)amino]hept-1-en-2-amine;ethene
CID 144493060

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene?
The IUPAC name of (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene (CID 144944957) is (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene.
What is the SMILES notation for (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene?
The canonical SMILES for (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene is C=C.CCCCCN(N)/C=C(\N)CCCCC(C)C.
What is the InChIKey of (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene?
The InChIKey is RGLCZYKRROIFJB-CTMPBGLUSA-N. The full InChI is InChI=1S/C14H31N3.C2H4/c1-4-5-8-11-17(16)12-14(15)10-7-6-9-13(2)3;1-2/h12-13H,4-11,15-16H2,1-3H3;1-2H2/b14-12-;.
What are the key properties of (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene?
(Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene has a molecular weight of 269.48 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(pentyl)amino]-7-methyloct-1-en-2-amine;ethene is sourced from PubChem (CID 144944957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).