N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine

C15H30N2 — CID 62262258

IUPACN-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-4-15(3,11-16-14-7-8-14)12-17-9-5-6-13(2)10-17/h13-14,16H,4-12H2,1-3H3
InChIKeyHPFSFEUIXPOQNM-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds6

About N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine

N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine (PubChem CID 62262258) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
PubChem CID62262258
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CCCC(C)C1
InChIInChI=1S/C15H30N2/c1-4-15(3,11-16-14-7-8-14)12-17-9-5-6-13(2)10-17/h13-14,16H,4-12H2,1-3H3
InChIKeyHPFSFEUIXPOQNM-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
N-[2,2-dimethyl-3-(3-methylpiperidin-1-yl)propyl]cyclopropanamine
CID 62263551
N-[2-methyl-2-[(3-propoxypiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62272802
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-3-ol
CID 62943597
N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 114539578
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
CID 62262514
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474785
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510
N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
CID 113418855

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine (CID 62262258) is N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine is CCC(C)(CNC1CC1)CN1CCCC(C)C1.
What is the InChIKey of N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine?
The InChIKey is HPFSFEUIXPOQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15(3,11-16-14-7-8-14)12-17-9-5-6-13(2)10-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine?
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 62262258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).