2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine

C13H24N2 — CID 104809042

IUPAC2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine
SMILESCC#CCCN(C)C1CCCCC1CN
InChIInChI=1S/C13H24N2/c1-3-4-7-10-15(2)13-9-6-5-8-12(13)11-14/h12-13H,5-11,14H2,1-2H3
InChIKeyPRCCEHKYNNTJFR-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.85
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine

2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine (PubChem CID 104809042) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine
PubChem CID104809042
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine
SMILESCC#CCCN(C)C1CCCCC1CN
InChIInChI=1S/C13H24N2/c1-3-4-7-10-15(2)13-9-6-5-8-12(13)11-14/h12-13H,5-11,14H2,1-2H3
InChIKeyPRCCEHKYNNTJFR-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-pent-3-ynylcyclopentyl)methanamine
CID 104813751
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804
2-(aminomethyl)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112590913
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
5-[[2-(aminomethyl)cycloheptyl]-methylamino]pentan-1-ol
CID 107198523
2-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclohexan-1-amine
CID 61444642
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylcyclopentan-1-amine
CID 62860935
2-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115514927
2-(aminomethyl)-N-cyclopentyl-N-methylcyclopentan-1-amine
CID 43293690
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 60891551
2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
CID 43374646

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine (CID 104809042) is 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine is CC#CCCN(C)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine?
The InChIKey is PRCCEHKYNNTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-7-10-15(2)13-9-6-5-8-12(13)11-14/h12-13H,5-11,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine?
2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-pent-3-ynylcyclohexan-1-amine is sourced from PubChem (CID 104809042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).