N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine

C15H30N2 — CID 107178393

IUPACN-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCC1(C)CCCCC1CNCCN1CCCC1
InChIInChI=1S/C15H30N2/c1-15(2)8-4-3-7-14(15)13-16-9-12-17-10-5-6-11-17/h14,16H,3-13H2,1-2H3
InChIKeyRNOUBIYCLYGFEU-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds5

About N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 107178393) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID107178393
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCC1(C)CCCCC1CNCCN1CCCC1
InChIInChI=1S/C15H30N2/c1-15(2)8-4-3-7-14(15)13-16-9-12-17-10-5-6-11-17/h14,16H,3-13H2,1-2H3
InChIKeyRNOUBIYCLYGFEU-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107001513
trans-(1S,2S)-2-[(2-pyrrolidin-1-ylethylamino)methyl]cyclohexan-1-amine
CID 66594466
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 55196456
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329
1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 107911469
2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
CID 62932691
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 107911542

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 107178393) is N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine is CC1(C)CCCCC1CNCCN1CCCC1.
What is the InChIKey of N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is RNOUBIYCLYGFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2)8-4-3-7-14(15)13-16-9-12-17-10-5-6-11-17/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 107178393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).