1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

C19H32N2 — CID 104575269

IUPAC1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-16-7-6-12-21-18(16)14-20-13-15-8-10-17(11-9-15)19(2,3)4/h6-7,12,15,17,20H,5,8-11,13-14H2,1-4H3
InChIKeyRMTKZLZPJMYOSW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.59
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (PubChem CID 104575269) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
PubChem CID104575269
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-16-7-6-12-21-18(16)14-20-13-15-8-10-17(11-9-15)19(2,3)4/h6-7,12,15,17,20H,5,8-11,13-14H2,1-4H3
InChIKeyRMTKZLZPJMYOSW-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 82733178
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
CID 114472474
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 82732224
1-(1-ethylpiperidin-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 112650123

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (CID 104575269) is 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is CCc1cccnc1CNCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is RMTKZLZPJMYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-7-6-12-21-18(16)14-20-13-15-8-10-17(11-9-15)19(2,3)4/h6-7,12,15,17,20H,5,8-11,13-14H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 288.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 104575269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).