2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine

C17H33N — CID 81026046

IUPAC2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
SMILESC=C(CC)CC1CCCCCC1CNCC(C)C
InChIInChI=1S/C17H33N/c1-5-15(4)11-16-9-7-6-8-10-17(16)13-18-12-14(2)3/h14,16-18H,4-13H2,1-3H3
InChIKeyUPGDYZVBMAVUEA-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.78
Rot. Bonds7

About 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine

2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine (PubChem CID 81026046) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
PubChem CID81026046
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
SMILESC=C(CC)CC1CCCCCC1CNCC(C)C
InChIInChI=1S/C17H33N/c1-5-15(4)11-16-9-7-6-8-10-17(16)13-18-12-14(2)3/h14,16-18H,4-13H2,1-3H3
InChIKeyUPGDYZVBMAVUEA-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022824
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033141
N-[(2-but-2-ynylcycloheptyl)methyl]-2-methylpropan-1-amine
CID 81025136
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81024946
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
CID 81028351
[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol
CID 66046903
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
CID 81032219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine (CID 81026046) is 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine is C=C(CC)CC1CCCCCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine?
The InChIKey is UPGDYZVBMAVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-5-15(4)11-16-9-7-6-8-10-17(16)13-18-12-14(2)3/h14,16-18H,4-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine?
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81026046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).