(4S)-octa-1,7-dien-4-amine

C8H15N — CID 124537914

IUPAC(4S)-octa-1,7-dien-4-amine
SMILESC=CCC[C@H](N)CC=C
InChIInChI=1S/C8H15N/c1-3-5-7-8(9)6-4-2/h3-4,8H,1-2,5-7,9H2/t8-/m1/s1
InChIKeyVYCJGDNJZUFZPE-MRVPVSSYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds5

About (4S)-octa-1,7-dien-4-amine

(4S)-octa-1,7-dien-4-amine (PubChem CID 124537914) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (4S)-octa-1,7-dien-4-amine.

Molecular Properties

Compound Name(4S)-octa-1,7-dien-4-amine
PubChem CID124537914
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(4S)-octa-1,7-dien-4-amine
SMILESC=CCC[C@H](N)CC=C
InChIInChI=1S/C8H15N/c1-3-5-7-8(9)6-4-2/h3-4,8H,1-2,5-7,9H2/t8-/m1/s1
InChIKeyVYCJGDNJZUFZPE-MRVPVSSYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
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

nona-1,8-dien-4-amine
CID 116660372
5-prop-2-enylnona-1,8-diene
CID 54537373
5-aminooct-7-en-1-ol
CID 130023332
1-ethylsulfanylhex-5-en-2-amine
CID 65127956
pent-4-ene-1,2-diamine;silane
CID 174886622
hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
(4S)-6-methylhept-1-en-4-amine
CID 55284878
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
ethane;4-methylocta-1,7-diene
CID 144616064
2-but-3-enylhex-5-en-1-amine
CID 130382667
1-(1-adamantyl)hex-5-en-2-amine
CID 104987696
1-pyridin-4-ylhex-5-en-3-amine
CID 105108635

Frequently Asked Questions

What is the IUPAC name of (4S)-octa-1,7-dien-4-amine?
The IUPAC name of (4S)-octa-1,7-dien-4-amine (CID 124537914) is (4S)-octa-1,7-dien-4-amine.
What is the SMILES notation for (4S)-octa-1,7-dien-4-amine?
The canonical SMILES for (4S)-octa-1,7-dien-4-amine is C=CCC[C@H](N)CC=C.
What is the InChIKey of (4S)-octa-1,7-dien-4-amine?
The InChIKey is VYCJGDNJZUFZPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-7-8(9)6-4-2/h3-4,8H,1-2,5-7,9H2/t8-/m1/s1.
What are the key properties of (4S)-octa-1,7-dien-4-amine?
(4S)-octa-1,7-dien-4-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-octa-1,7-dien-4-amine is sourced from PubChem (CID 124537914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).