N-but-2-ynylcyclohexanamine

C10H17N — CID 3103789

IUPACN-but-2-ynylcyclohexanamine
SMILESCC#CCNC1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,4-9H2,1H3
InChIKeyAMTIWUUGQBIURS-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.93
Rot. Bonds2

About N-but-2-ynylcyclohexanamine

N-but-2-ynylcyclohexanamine (PubChem CID 3103789) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-but-2-ynylcyclohexanamine.

Molecular Properties

Compound NameN-but-2-ynylcyclohexanamine
PubChem CID3103789
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-but-2-ynylcyclohexanamine
SMILESCC#CCNC1CCCCC1
InChIInChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,4-9H2,1H3
InChIKeyAMTIWUUGQBIURS-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-2-ynylcyclohexanamine?
The IUPAC name of N-but-2-ynylcyclohexanamine (CID 3103789) is N-but-2-ynylcyclohexanamine.
What is the SMILES notation for N-but-2-ynylcyclohexanamine?
The canonical SMILES for N-but-2-ynylcyclohexanamine is CC#CCNC1CCCCC1.
What is the InChIKey of N-but-2-ynylcyclohexanamine?
The InChIKey is AMTIWUUGQBIURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,4-9H2,1H3.
What are the key properties of N-but-2-ynylcyclohexanamine?
N-but-2-ynylcyclohexanamine has a molecular weight of 151.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynylcyclohexanamine is sourced from PubChem (CID 3103789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).