5-buta-1,3-dien-2-ylnonan-5-amine

C13H25N — CID 90407495

IUPAC5-buta-1,3-dien-2-ylnonan-5-amine
SMILESC=CC(=C)C(N)(CCCC)CCCC
InChIInChI=1S/C13H25N/c1-5-8-10-13(14,11-9-6-2)12(4)7-3/h7H,3-6,8-11,14H2,1-2H3
InChIKeyPFEVNWYVORCHDV-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.81
Rot. Bonds8

About 5-buta-1,3-dien-2-ylnonan-5-amine

5-buta-1,3-dien-2-ylnonan-5-amine (PubChem CID 90407495) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5-buta-1,3-dien-2-ylnonan-5-amine.

Molecular Properties

Compound Name5-buta-1,3-dien-2-ylnonan-5-amine
PubChem CID90407495
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5-buta-1,3-dien-2-ylnonan-5-amine
SMILESC=CC(=C)C(N)(CCCC)CCCC
InChIInChI=1S/C13H25N/c1-5-8-10-13(14,11-9-6-2)12(4)7-3/h7H,3-6,8-11,14H2,1-2H3
InChIKeyPFEVNWYVORCHDV-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-3-methylidenetridec-1-ene
CID 135010777
3-amino-3-butylheptan-2-one
CID 59925813
2-methylhept-1-ene-3,3-diol
CID 57069877
2,2-bis(prop-2-enyl)hexan-1-amine
CID 175019785
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
5-ethylnonan-5-amine;hydrochloride
CID 174766496
4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
4-amino-4-methylpentadec-1-en-3-one
CID 168863815
2,4-dimethyl-3-methylideneoctan-4-amine
CID 167114018
pentane;prop-2-enamide
CID 139391622
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dien-2-ylnonan-5-amine?
The IUPAC name of 5-buta-1,3-dien-2-ylnonan-5-amine (CID 90407495) is 5-buta-1,3-dien-2-ylnonan-5-amine.
What is the SMILES notation for 5-buta-1,3-dien-2-ylnonan-5-amine?
The canonical SMILES for 5-buta-1,3-dien-2-ylnonan-5-amine is C=CC(=C)C(N)(CCCC)CCCC.
What is the InChIKey of 5-buta-1,3-dien-2-ylnonan-5-amine?
The InChIKey is PFEVNWYVORCHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-8-10-13(14,11-9-6-2)12(4)7-3/h7H,3-6,8-11,14H2,1-2H3.
What are the key properties of 5-buta-1,3-dien-2-ylnonan-5-amine?
5-buta-1,3-dien-2-ylnonan-5-amine has a molecular weight of 195.35 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dien-2-ylnonan-5-amine is sourced from PubChem (CID 90407495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).