4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine

C16H33N3 — CID 107397751

IUPAC4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(CC1CCC1)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-19(12-15-6-5-7-15)16(13-17)8-10-18(11-9-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyFHWVHGLCAVTVSQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds6

About 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 107397751) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
PubChem CID107397751
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(CC1CCC1)C1(CN)CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3/c1-4-19(12-15-6-5-7-15)16(13-17)8-10-18(11-9-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyFHWVHGLCAVTVSQ-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,N-diethyl-1-propan-2-ylpiperidin-4-amine
CID 24710650
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
8-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylspiro[4.5]decan-8-amine
CID 107397723
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 107397649
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
CID 107397873
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 107397761

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine (CID 107397751) is 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine is CCN(CC1CCC1)C1(CN)CCN(C(C)C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is FHWVHGLCAVTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-19(12-15-6-5-7-15)16(13-17)8-10-18(11-9-16)14(2)3/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 107397751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).