(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine

C16H30N2 — CID 124848782

IUPAC(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCC[C@@H](NC(C2CCC2)C2CCC2)C1
InChIInChI=1S/C16H30N2/c1-2-18-11-5-10-15(12-18)17-16(13-6-3-7-13)14-8-4-9-14/h13-17H,2-12H2,1H3/t15-/m1/s1
InChIKeyNKALHNAMXKCQNS-OAHLLOKOSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine

(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 124848782) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
PubChem CID124848782
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCC[C@@H](NC(C2CCC2)C2CCC2)C1
InChIInChI=1S/C16H30N2/c1-2-18-11-5-10-15(12-18)17-16(13-6-3-7-13)14-8-4-9-14/h13-17H,2-12H2,1H3/t15-/m1/s1
InChIKeyNKALHNAMXKCQNS-OAHLLOKOSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclobutylpropan-2-yl)-1-ethylpiperidin-3-amine
CID 115711406
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
1-ethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 61169975
1-ethyl-N-(3-methoxybutan-2-yl)piperidin-3-amine
CID 115711412
1-ethyl-N-heptan-3-ylpiperidin-3-amine
CID 63946324
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
CID 61170168
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-(1-ethylpiperidin-3-yl)-1-methylazepan-4-amine
CID 65070247
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine (CID 124848782) is (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine is CCN1CCC[C@@H](NC(C2CCC2)C2CCC2)C1.
What is the InChIKey of (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is NKALHNAMXKCQNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-18-11-5-10-15(12-18)17-16(13-6-3-7-13)14-8-4-9-14/h13-17H,2-12H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine?
(3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[di(cyclobutyl)methyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 124848782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).