N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine

C14H28N2 — CID 104973669

IUPACN-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC1CC(N2CCCC(CNC(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-11(2)15-9-13-5-4-6-16(10-13)14-7-12(3)8-14/h11-15H,4-10H2,1-3H3
InChIKeyOECPETCMDHTWIZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds4

About N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 104973669) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID104973669
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC1CC(N2CCCC(CNC(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-11(2)15-9-13-5-4-6-16(10-13)14-7-12(3)8-14/h11-15H,4-10H2,1-3H3
InChIKeyOECPETCMDHTWIZ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methylcyclopentyl)piperidin-3-yl]methyl]propan-2-amine
CID 64514748
N-[(1-cyclohexylpiperidin-3-yl)methyl]propan-2-amine
CID 63240594
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828
N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
CID 55083195
N-(cyclopentylmethyl)-1-(3-methylcyclobutyl)piperidin-3-amine
CID 83998037
N-[[1-(2-ethylcyclohexyl)piperidin-3-yl]methyl]propan-2-amine
CID 63863250
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551858

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine (CID 104973669) is N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine is CC1CC(N2CCCC(CNC(C)C)C2)C1.
What is the InChIKey of N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is OECPETCMDHTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)15-9-13-5-4-6-16(10-13)14-7-12(3)8-14/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylcyclobutyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104973669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).