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

C20H42N2 — CID 173230056

IUPAC2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCNC(N)=C(C)CCC
InChIInChI=1S/C20H42N2/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
InChIKeyRYPZSRSSTRCOHL-UHFFFAOYSA-N
MW310.57 g/mol
LogP6.27
Rot. Bonds16

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

2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine (PubChem CID 173230056) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
PubChem CID173230056
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine
SMILESCCCCCCCCCCCCCCNC(N)=C(C)CCC
InChIInChI=1S/C20H42N2/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
InChIKeyRYPZSRSSTRCOHL-UHFFFAOYSA-N
XLogP6.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
The IUPAC name of 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine (CID 173230056) is 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine.
What is the SMILES notation for 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
The canonical SMILES for 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine is CCCCCCCCCCCCCCNC(N)=C(C)CCC.
What is the InChIKey of 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
The InChIKey is RYPZSRSSTRCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/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.
What are the key properties of 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine?
2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine has a molecular weight of 310.57 g/mol, XLogP of 6.27, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N'-tetradecylpent-1-ene-1,1-diamine is sourced from PubChem (CID 173230056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).