N-propylcyclooct-2-en-1-amine

C11H21N — CID 123644376

IUPACN-propylcyclooct-2-en-1-amine
SMILESCCCNC1C=CCCCCC1
InChIInChI=1S/C11H21N/c1-2-10-12-11-8-6-4-3-5-7-9-11/h6,8,11-12H,2-5,7,9-10H2,1H3
InChIKeyQQUTZYHUFWIBKC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds3

About N-propylcyclooct-2-en-1-amine

N-propylcyclooct-2-en-1-amine (PubChem CID 123644376) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-propylcyclooct-2-en-1-amine.

Molecular Properties

Compound NameN-propylcyclooct-2-en-1-amine
PubChem CID123644376
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-propylcyclooct-2-en-1-amine
SMILESCCCNC1C=CCCCCC1
InChIInChI=1S/C11H21N/c1-2-10-12-11-8-6-4-3-5-7-9-11/h6,8,11-12H,2-5,7,9-10H2,1H3
InChIKeyQQUTZYHUFWIBKC-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
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

N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
(2E)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclooct-2-en-1-amine
CID 114227896
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(4-methylsulfanylbutyl)cyclohex-2-en-1-amine
CID 107234447
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
CID 114227927
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
CID 107908089
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
CID 114227893

Frequently Asked Questions

What is the IUPAC name of N-propylcyclooct-2-en-1-amine?
The IUPAC name of N-propylcyclooct-2-en-1-amine (CID 123644376) is N-propylcyclooct-2-en-1-amine.
What is the SMILES notation for N-propylcyclooct-2-en-1-amine?
The canonical SMILES for N-propylcyclooct-2-en-1-amine is CCCNC1C=CCCCCC1.
What is the InChIKey of N-propylcyclooct-2-en-1-amine?
The InChIKey is QQUTZYHUFWIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-10-12-11-8-6-4-3-5-7-9-11/h6,8,11-12H,2-5,7,9-10H2,1H3.
What are the key properties of N-propylcyclooct-2-en-1-amine?
N-propylcyclooct-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclooct-2-en-1-amine is sourced from PubChem (CID 123644376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).