N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine

C15H30N2 — CID 123955239

IUPACN-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine
SMILESC=C(CCC)/C(C)=N/C(C)C(C)NCCCC
InChIInChI=1S/C15H30N2/c1-7-9-11-16-14(5)15(6)17-13(4)12(3)10-8-2/h14-16H,3,7-11H2,1-2,4-6H3/b17-13+
InChIKeyRMPWJWJWZQAPHQ-GHRIWEEISA-N
MW238.42 g/mol
LogP3.97
Rot. Bonds9

About N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine

N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine (PubChem CID 123955239) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine.

Molecular Properties

Compound NameN-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine
PubChem CID123955239
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine
SMILESC=C(CCC)/C(C)=N/C(C)C(C)NCCCC
InChIInChI=1S/C15H30N2/c1-7-9-11-16-14(5)15(6)17-13(4)12(3)10-8-2/h14-16H,3,7-11H2,1-2,4-6H3/b17-13+
InChIKeyRMPWJWJWZQAPHQ-GHRIWEEISA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-hydrazinylidene-3-methylidene-N-propan-2-ylhexan-1-amine
CID 122468694
3-Methyl-5-[2-(propan-2-ylamino)ethylimino]cyclohex-3-en-1-amine
CID 123513563
5-[2-(Ethylamino)ethylimino]-3-methylcyclohex-3-en-1-amine
CID 123522911
ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
CID 142382887
N,2-dimethyl-3-methylidenepiperidin-4-imine
CID 176925363
(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine
CID 178131377
N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
CID 142382888

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine?
The IUPAC name of N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine (CID 123955239) is N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine.
What is the SMILES notation for N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine?
The canonical SMILES for N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine is C=C(CCC)/C(C)=N/C(C)C(C)NCCCC.
What is the InChIKey of N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine?
The InChIKey is RMPWJWJWZQAPHQ-GHRIWEEISA-N. The full InChI is InChI=1S/C15H30N2/c1-7-9-11-16-14(5)15(6)17-13(4)12(3)10-8-2/h14-16H,3,7-11H2,1-2,4-6H3/b17-13+.
What are the key properties of N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine?
N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine is sourced from PubChem (CID 123955239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).