N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine

C19H38N2 — CID 106624584

IUPACN-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
SMILESCCN(CC1CCCNC1)C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C19H38N2/c1-5-19(3,4)17-9-11-18(12-10-17)21(6-2)15-16-8-7-13-20-14-16/h16-18,20H,5-15H2,1-4H3
InChIKeyIBLQBEQDOYWFLY-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds6

About N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine

N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 106624584) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
PubChem CID106624584
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
SMILESCCN(CC1CCCNC1)C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C19H38N2/c1-5-19(3,4)17-9-11-18(12-10-17)21(6-2)15-16-8-7-13-20-14-16/h16-18,20H,5-15H2,1-4H3
InChIKeyIBLQBEQDOYWFLY-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 104575642
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2-methylbutan-2-ol
CID 106640266
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
CID 129413675
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine (CID 106624584) is N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine is CCN(CC1CCCNC1)C1CCC(C(C)(C)CC)CC1.
What is the InChIKey of N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is IBLQBEQDOYWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-19(3,4)17-9-11-18(12-10-17)21(6-2)15-16-8-7-13-20-14-16/h16-18,20H,5-15H2,1-4H3.
What are the key properties of N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine?
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106624584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).