azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine

C20H45N3 — CID 173230055

IUPACazane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCNC(N)=C(C)CCC.N
InChIInChI=1S/C20H42N2.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-20(21)19(3)17-5-2;/h22H,4-18,21H2,1-3H3;1H3
InChIKeyKHBOLWOMADIGIN-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.43
Rot. Bonds16

About azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine

azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine (PubChem CID 173230055) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine.

Molecular Properties

Compound Nameazane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
PubChem CID173230055
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Nameazane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCNC(N)=C(C)CCC.N
InChIInChI=1S/C20H42N2.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-20(21)19(3)17-5-2;/h22H,4-18,21H2,1-3H3;1H3
InChIKeyKHBOLWOMADIGIN-UHFFFAOYSA-N
XLogP6.43
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
The IUPAC name of azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine (CID 173230055) is azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine.
What is the SMILES notation for azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
The canonical SMILES for azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine is CCCCCCCCCCCCCCNC(N)=C(C)CCC.N.
What is the InChIKey of azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
The InChIKey is KHBOLWOMADIGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2.H3N/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-20(21)19(3)17-5-2;/h22H,4-18,21H2,1-3H3;1H3.
What are the key properties of azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine has a molecular weight of 327.60 g/mol, XLogP of 6.43, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine is sourced from PubChem (CID 173230055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).