2-but-3-enylhex-5-en-1-amine

C10H19N — CID 130382667

IUPAC2-but-3-enylhex-5-en-1-amine
SMILESC=CCCC(CN)CCC=C
InChIInChI=1S/C10H19N/c1-3-5-7-10(9-11)8-6-4-2/h3-4,10H,1-2,5-9,11H2
InChIKeyMNAPBLXKAKAXGD-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.49
Rot. Bonds7

About 2-but-3-enylhex-5-en-1-amine

2-but-3-enylhex-5-en-1-amine (PubChem CID 130382667) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-but-3-enylhex-5-en-1-amine.

Molecular Properties

Compound Name2-but-3-enylhex-5-en-1-amine
PubChem CID130382667
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-but-3-enylhex-5-en-1-amine
SMILESC=CCCC(CN)CCC=C
InChIInChI=1S/C10H19N/c1-3-5-7-10(9-11)8-6-4-2/h3-4,10H,1-2,5-9,11H2
InChIKeyMNAPBLXKAKAXGD-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propylhept-6-en-1-amine
CID 87481724
5-prop-2-enylnona-1,8-diene
CID 54537373
(2S)-1-aminohex-5-en-2-ol
CID 34176840
2-butylundec-10-en-1-amine
CID 87482538
2-propyldec-9-en-1-amine
CID 87482159
2-prop-2-enylpropane-1,3-diamine
CID 19088326
2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844479
(4S)-octa-1,7-dien-4-amine
CID 124537914
5,5-dibromopent-1-ene
CID 134890321
3-but-3-enylpentanedioate
CID 18461973
2-prop-2-enylhexane-1,6-diamine
CID 89126683
2-cyclohexylhex-5-en-1-amine
CID 66694648

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylhex-5-en-1-amine?
The IUPAC name of 2-but-3-enylhex-5-en-1-amine (CID 130382667) is 2-but-3-enylhex-5-en-1-amine.
What is the SMILES notation for 2-but-3-enylhex-5-en-1-amine?
The canonical SMILES for 2-but-3-enylhex-5-en-1-amine is C=CCCC(CN)CCC=C.
What is the InChIKey of 2-but-3-enylhex-5-en-1-amine?
The InChIKey is MNAPBLXKAKAXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-5-7-10(9-11)8-6-4-2/h3-4,10H,1-2,5-9,11H2.
What are the key properties of 2-but-3-enylhex-5-en-1-amine?
2-but-3-enylhex-5-en-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylhex-5-en-1-amine is sourced from PubChem (CID 130382667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).