1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine

C14H28N2 — CID 10775540

IUPAC1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine
SMILESC=CC(NCCCC)C(=C)CNCCCC
InChIInChI=1S/C14H28N2/c1-5-8-10-15-12-13(4)14(7-3)16-11-9-6-2/h7,14-16H,3-6,8-12H2,1-2H3
InChIKeyUBAMFWRKRRBXKP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.88
Rot. Bonds11

About 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine

1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine (PubChem CID 10775540) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine
PubChem CID10775540
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine
SMILESC=CC(NCCCC)C(=C)CNCCCC
InChIInChI=1S/C14H28N2/c1-5-8-10-15-12-13(4)14(7-3)16-11-9-6-2/h7,14-16H,3-6,8-12H2,1-2H3
InChIKeyUBAMFWRKRRBXKP-UHFFFAOYSA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
2-Propylamino-5-hexene
CID 12541939
2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
CID 23109108
Isopropylpent-4-enylamine
CID 551578
N-but-3-enylhex-5-en-2-amine
CID 11332577
N-butylhex-5-en-2-amine
CID 11008161
2-methylidene-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 12427676
N-ethyl-4-methylpent-1-en-3-amine
CID 17800489
N-pent-1-en-3-ylpent-1-en-3-amine
CID 17800492
N-(cyclohexa-1,4-dien-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 20365148
N-propan-2-ylpent-4-en-2-amine
CID 21205791

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine?
The IUPAC name of 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine (CID 10775540) is 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine is C=CC(NCCCC)C(=C)CNCCCC.
What is the InChIKey of 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine?
The InChIKey is UBAMFWRKRRBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-8-10-15-12-13(4)14(7-3)16-11-9-6-2/h7,14-16H,3-6,8-12H2,1-2H3.
What are the key properties of 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine?
1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dibutyl-2-methylidenepent-4-ene-1,3-diamine is sourced from PubChem (CID 10775540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).