N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

C17H34N2 — CID 106624491

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CC1CCCNC1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H34N2/c1-4-19(13-15-6-5-11-18-12-15)17-9-7-16(8-10-17)14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyMNEZHZSJUPZLOB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

About N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 106624491) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID106624491
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CC1CCCNC1)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H34N2/c1-4-19(13-15-6-5-11-18-12-15)17-9-7-16(8-10-17)14(2)3/h14-18H,4-13H2,1-3H3
InChIKeyMNEZHZSJUPZLOB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
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-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (CID 106624491) is N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is CCN(CC1CCCNC1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is MNEZHZSJUPZLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-19(13-15-6-5-11-18-12-15)17-9-7-16(8-10-17)14(2)3/h14-18H,4-13H2,1-3H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106624491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).