N-hex-5-en-2-ylcyclopropanamine

C9H17N — CID 104581323

IUPACN-hex-5-en-2-ylcyclopropanamine
SMILESC=CCCC(C)NC1CC1
InChIInChI=1S/C9H17N/c1-3-4-5-8(2)10-9-6-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyZFKNQLOCGWJOLM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.09
Rot. Bonds5

About N-hex-5-en-2-ylcyclopropanamine

N-hex-5-en-2-ylcyclopropanamine (PubChem CID 104581323) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-hex-5-en-2-ylcyclopropanamine.

Molecular Properties

Compound NameN-hex-5-en-2-ylcyclopropanamine
PubChem CID104581323
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-hex-5-en-2-ylcyclopropanamine
SMILESC=CCCC(C)NC1CC1
InChIInChI=1S/C9H17N/c1-3-4-5-8(2)10-9-6-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyZFKNQLOCGWJOLM-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.09
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

4-Pentenylamine, N,1-dimethyl-
CID 3051131
4-Hexenylamine, N,1-dimethyl-
CID 6435019
N-butylpent-4-en-1-amine
CID 15570247
(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
CID 55286801
Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
N-Propylpent-4-en-1-amine
CID 12397189
(Hex-5-en-1-yl)(propyl)amine
CID 12397191
2-Propylamino-5-hexene
CID 12541939
Di(pent-4-enyl)amine
CID 541855
Isopropylpent-4-enylamine
CID 551578
N-but-3-enylbutan-1-amine
CID 9989283
N-methylhept-6-en-3-amine
CID 13800648

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-ylcyclopropanamine?
The IUPAC name of N-hex-5-en-2-ylcyclopropanamine (CID 104581323) is N-hex-5-en-2-ylcyclopropanamine.
What is the SMILES notation for N-hex-5-en-2-ylcyclopropanamine?
The canonical SMILES for N-hex-5-en-2-ylcyclopropanamine is C=CCCC(C)NC1CC1.
What is the InChIKey of N-hex-5-en-2-ylcyclopropanamine?
The InChIKey is ZFKNQLOCGWJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-5-8(2)10-9-6-7-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-hex-5-en-2-ylcyclopropanamine?
N-hex-5-en-2-ylcyclopropanamine has a molecular weight of 139.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-ylcyclopropanamine is sourced from PubChem (CID 104581323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).