7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine

C13H27N3 — CID 123446462

IUPAC7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine
SMILESCC(C=CCCCCN)=NC(N)CC(C)C
InChIInChI=1S/C13H27N3/c1-11(2)10-13(15)16-12(3)8-6-4-5-7-9-14/h6,8,11,13H,4-5,7,9-10,14-15H2,1-3H3
InChIKeyHKZBYNKLNMJCDO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.46
Rot. Bonds8

About 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine

7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine (PubChem CID 123446462) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine.

Molecular Properties

Compound Name7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine
PubChem CID123446462
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine
SMILESCC(C=CCCCCN)=NC(N)CC(C)C
InChIInChI=1S/C13H27N3/c1-11(2)10-13(15)16-12(3)8-6-4-5-7-9-14/h6,8,11,13H,4-5,7,9-10,14-15H2,1-3H3
InChIKeyHKZBYNKLNMJCDO-UHFFFAOYSA-N
XLogP2.46
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine
CID 68983224
(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
CID 89095963
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
(4-Butyliminocyclohex-2-en-1-yl)methanamine
CID 123602996
(4-Methyliminocyclohex-2-en-1-yl)methanamine
CID 123703590
1-(4-Methyldeca-5,8-dien-2-ylideneamino)ethanamine
CID 123847360
2-[(Z)-2-methylhept-5-enyl]iminopropan-1-amine
CID 130242798
(Z)-3-methyliminohept-4-en-1-amine
CID 142093160
3,6-Dimethyl-2,3-dihydropyridin-2-amine;ethane
CID 142119792
butane;ethane;3-methylpentan-1-amine;(Z)-N-pent-1-en-2-ylhex-3-en-2-imine
CID 142120267
[6-methyl-2-[(Z)-prop-1-enyl]-3,4-dihydropyridin-4-yl]methanamine
CID 144125393

Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine?
The IUPAC name of 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine (CID 123446462) is 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine.
What is the SMILES notation for 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine?
The canonical SMILES for 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine is CC(C=CCCCCN)=NC(N)CC(C)C.
What is the InChIKey of 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine?
The InChIKey is HKZBYNKLNMJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)10-13(15)16-12(3)8-6-4-5-7-9-14/h6,8,11,13H,4-5,7,9-10,14-15H2,1-3H3.
What are the key properties of 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine?
7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-3-methylbutyl)iminooct-5-en-1-amine is sourced from PubChem (CID 123446462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).