N-(cycloheptylmethyl)pent-1-yn-3-amine

C13H23N — CID 106224416

IUPACN-(cycloheptylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCC1CCCCCC1
InChIInChI=1S/C13H23N/c1-3-13(4-2)14-11-12-9-7-5-6-8-10-12/h1,12-14H,4-11H2,2H3
InChIKeyRAETWBFTSRUMFD-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds4

About N-(cycloheptylmethyl)pent-1-yn-3-amine

N-(cycloheptylmethyl)pent-1-yn-3-amine (PubChem CID 106224416) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(cycloheptylmethyl)pent-1-yn-3-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)pent-1-yn-3-amine
PubChem CID106224416
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(cycloheptylmethyl)pent-1-yn-3-amine
SMILESC#CC(CC)NCC1CCCCCC1
InChIInChI=1S/C13H23N/c1-3-13(4-2)14-11-12-9-7-5-6-8-10-12/h1,12-14H,4-11H2,2H3
InChIKeyRAETWBFTSRUMFD-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]pent-1-yn-3-amine
CID 114160546
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
2-(cyclopropylmethylamino)butanenitrile
CID 60996082
N-(cyclohexylmethyl)pent-4-yn-2-amine
CID 115757028
N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide
CID 106229084
3-(cycloheptylmethylamino)pentan-1-ol
CID 115685732
1-cyclohexylbut-3-yn-2-ylhydrazine
CID 105315529
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
1-cyclohexyl-3-pent-1-yn-3-ylurea
CID 106225399
N-(oxolan-3-ylmethyl)hex-1-yn-3-amine
CID 106226251
N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
CID 130481299
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)pent-1-yn-3-amine?
The IUPAC name of N-(cycloheptylmethyl)pent-1-yn-3-amine (CID 106224416) is N-(cycloheptylmethyl)pent-1-yn-3-amine.
What is the SMILES notation for N-(cycloheptylmethyl)pent-1-yn-3-amine?
The canonical SMILES for N-(cycloheptylmethyl)pent-1-yn-3-amine is C#CC(CC)NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)pent-1-yn-3-amine?
The InChIKey is RAETWBFTSRUMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-13(4-2)14-11-12-9-7-5-6-8-10-12/h1,12-14H,4-11H2,2H3.
What are the key properties of N-(cycloheptylmethyl)pent-1-yn-3-amine?
N-(cycloheptylmethyl)pent-1-yn-3-amine has a molecular weight of 193.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)pent-1-yn-3-amine is sourced from PubChem (CID 106224416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).