(4S)-6-methylhept-1-en-4-amine

C8H17N — CID 55284878

IUPAC(4S)-6-methylhept-1-en-4-amine
SMILESC=CC[C@@H](N)CC(C)C
InChIInChI=1S/C8H17N/c1-4-5-8(9)6-7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m1/s1
InChIKeyYLCKEVRGZIZASZ-MRVPVSSYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds4

About (4S)-6-methylhept-1-en-4-amine

(4S)-6-methylhept-1-en-4-amine (PubChem CID 55284878) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (4S)-6-methylhept-1-en-4-amine.

Molecular Properties

Compound Name(4S)-6-methylhept-1-en-4-amine
PubChem CID55284878
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(4S)-6-methylhept-1-en-4-amine
SMILESC=CC[C@@H](N)CC(C)C
InChIInChI=1S/C8H17N/c1-4-5-8(9)6-7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m1/s1
InChIKeyYLCKEVRGZIZASZ-MRVPVSSYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
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

6,8,8-trimethylnon-1-en-4-amine
CID 115813808
(4S,6S)-6,10-dimethylundeca-1,9-dien-4-amine
CID 11954735
2-methylnon-8-en-4-amine
CID 11829678
1-N-propan-2-ylpent-4-ene-1,2-diamine
CID 55289996
pent-4-ene-1,2-diamine;silane
CID 174886622
6-ethyldec-1-en-4-amine
CID 116660443
4-(2-methylpropyl)hepta-1,6-dien-2-amine
CID 138535342
S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine
CID 146361099
1-(4-propan-2-ylphenyl)pent-4-en-2-amine
CID 116660393
(4S)-octa-1,7-dien-4-amine
CID 124537914
6-methyl-N-propan-2-ylhept-1-en-4-amine
CID 129015544
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methylhept-1-en-4-amine?
The IUPAC name of (4S)-6-methylhept-1-en-4-amine (CID 55284878) is (4S)-6-methylhept-1-en-4-amine.
What is the SMILES notation for (4S)-6-methylhept-1-en-4-amine?
The canonical SMILES for (4S)-6-methylhept-1-en-4-amine is C=CC[C@@H](N)CC(C)C.
What is the InChIKey of (4S)-6-methylhept-1-en-4-amine?
The InChIKey is YLCKEVRGZIZASZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-8(9)6-7(2)3/h4,7-8H,1,5-6,9H2,2-3H3/t8-/m1/s1.
What are the key properties of (4S)-6-methylhept-1-en-4-amine?
(4S)-6-methylhept-1-en-4-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methylhept-1-en-4-amine is sourced from PubChem (CID 55284878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).