hept-5-en-2-amine

C7H15N — CID 72784707

IUPAChept-5-en-2-amine
SMILESCC=CCCC(C)N
InChIInChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3
InChIKeyDPOVASGZNDBULR-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds3

About hept-5-en-2-amine

hept-5-en-2-amine (PubChem CID 72784707) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is hept-5-en-2-amine.

Molecular Properties

Compound Namehept-5-en-2-amine
PubChem CID72784707
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Namehept-5-en-2-amine
SMILESCC=CCCC(C)N
InChIInChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3
InChIKeyDPOVASGZNDBULR-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.69
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)-hex-1-ene-1,5-diamine
CID 88688497
ethyl (Z)-2-methylhept-5-enoate
CID 88926981
(6E)-3-methylocta-1,6-diene
CID 14140905
tetrakis(pent-3-enyl)phosphanium
CID 154314281
6,7-dimethyloct-2-ene
CID 54205493
(E)-3-methyloct-6-en-1-ol
CID 14091580
2-aminohept-5-enoic acid
CID 54178727
6-methylnon-2-ene
CID 21361194
(5R)-hexane-2,5-diamine
CID 144618459
2,3-dimethylbutan-2-yl 2-methylhept-5-enoate
CID 141089805
(2S)-pentan-2-amine
CID 6997344
2-methylnon-7-en-4-ol
CID 71320713

Frequently Asked Questions

What is the IUPAC name of hept-5-en-2-amine?
The IUPAC name of hept-5-en-2-amine (CID 72784707) is hept-5-en-2-amine.
What is the SMILES notation for hept-5-en-2-amine?
The canonical SMILES for hept-5-en-2-amine is CC=CCCC(C)N.
What is the InChIKey of hept-5-en-2-amine?
The InChIKey is DPOVASGZNDBULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of hept-5-en-2-amine?
hept-5-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-5-en-2-amine is sourced from PubChem (CID 72784707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).