(3S,4S)-3-methylnon-5-en-4-amine

C10H21N — CID 57021355

IUPAC(3S,4S)-3-methylnon-5-en-4-amine
SMILESCCCC=C[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C10H21N/c1-4-6-7-8-10(11)9(3)5-2/h7-10H,4-6,11H2,1-3H3/t9-,10+/m0/s1
InChIKeySYPDHUGPCHSQAZ-VHSXEESVSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds5

About (3S,4S)-3-methylnon-5-en-4-amine

(3S,4S)-3-methylnon-5-en-4-amine (PubChem CID 57021355) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (3S,4S)-3-methylnon-5-en-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methylnon-5-en-4-amine
PubChem CID57021355
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(3S,4S)-3-methylnon-5-en-4-amine
SMILESCCCC=C[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C10H21N/c1-4-6-7-8-10(11)9(3)5-2/h7-10H,4-6,11H2,1-3H3/t9-,10+/m0/s1
InChIKeySYPDHUGPCHSQAZ-VHSXEESVSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
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

(E)-2,3-dimethyloct-4-ene
CID 173368392
(6R)-6-methylnon-4-ene
CID 175484589
henicos-4-ene-2,3-diamine
CID 54561895
6,7,9-trimethyldec-4-ene
CID 123201610
(E)-3-bromooct-4-ene
CID 88754866
(Z)-3-fluorooct-4-ene
CID 143337170
methyl 4-amino-5-methylhept-2-enoate
CID 123237204
(E)-2-ethenoxyhept-3-ene
CID 102248112
(E,2S)-2-methylhept-3-enal
CID 124565519
(2Z,5Z)-4-methylnona-2,5-diene
CID 144517565
3-methylocta-1,4-diene
CID 123442447
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
CID 134981164

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methylnon-5-en-4-amine?
The IUPAC name of (3S,4S)-3-methylnon-5-en-4-amine (CID 57021355) is (3S,4S)-3-methylnon-5-en-4-amine.
What is the SMILES notation for (3S,4S)-3-methylnon-5-en-4-amine?
The canonical SMILES for (3S,4S)-3-methylnon-5-en-4-amine is CCCC=C[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (3S,4S)-3-methylnon-5-en-4-amine?
The InChIKey is SYPDHUGPCHSQAZ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21N/c1-4-6-7-8-10(11)9(3)5-2/h7-10H,4-6,11H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-3-methylnon-5-en-4-amine?
(3S,4S)-3-methylnon-5-en-4-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methylnon-5-en-4-amine is sourced from PubChem (CID 57021355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).