1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine

C16H26N2 — CID 115256771

IUPAC1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine
SMILESCCC(C)c1ccc(CN(C)CC2(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-4-13(2)15-7-5-14(6-8-15)11-18(3)12-16(17)9-10-16/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeyKHIKRWBMKVAPCM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds6

About 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine

1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine (PubChem CID 115256771) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine
PubChem CID115256771
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine
SMILESCCC(C)c1ccc(CN(C)CC2(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-4-13(2)15-7-5-14(6-8-15)11-18(3)12-16(17)9-10-16/h5-8,13H,4,9-12,17H2,1-3H3
InChIKeyKHIKRWBMKVAPCM-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460243
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
1-(4-butan-2-ylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
CID 19893363
1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopropan-1-amine
CID 65458432
6-[(4-butan-2-ylphenyl)methyl-methylamino]hexane-1,2,3,4,5-pentol
CID 54144171
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 115295391
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
N-(1-adamantylmethyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 122548330
1-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115242988

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine (CID 115256771) is 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine is CCC(C)c1ccc(CN(C)CC2(N)CC2)cc1.
What is the InChIKey of 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
The InChIKey is KHIKRWBMKVAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13(2)15-7-5-14(6-8-15)11-18(3)12-16(17)9-10-16/h5-8,13H,4,9-12,17H2,1-3H3.
What are the key properties of 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-butan-2-ylphenyl)methyl-methylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).