2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine

C17H34N2 — CID 81004629

IUPAC2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)N(CC(C)C)C1CCC1CNC1CC1
InChIInChI=1S/C17H34N2/c1-5-16(6-2)19(12-13(3)4)17-10-7-14(17)11-18-15-8-9-15/h13-18H,5-12H2,1-4H3
InChIKeyBFHHNPDODZLKAW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.66
Rot. Bonds9

About 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine

2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine (PubChem CID 81004629) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine
PubChem CID81004629
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine
SMILESCCC(CC)N(CC(C)C)C1CCC1CNC1CC1
InChIInChI=1S/C17H34N2/c1-5-16(6-2)19(12-13(3)4)17-10-7-14(17)11-18-15-8-9-15/h13-18H,5-12H2,1-4H3
InChIKeyBFHHNPDODZLKAW-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylcyclobutan-1-amine
CID 80998217
N-butan-2-yl-2-[(cyclopropylamino)methyl]-N-methylcyclobutan-1-amine
CID 80999784
2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 80998461
2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 80999733
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-pentan-3-ylcyclobutan-1-amine
CID 80999579
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
CID 79644162
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 80999159
N-butan-2-yl-N-ethyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 80997727
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine
CID 80999025
N'-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102997742
N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79489086

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine (CID 81004629) is 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine is CCC(CC)N(CC(C)C)C1CCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine?
The InChIKey is BFHHNPDODZLKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-16(6-2)19(12-13(3)4)17-10-7-14(17)11-18-15-8-9-15/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine?
2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-N-pentan-3-ylcyclobutan-1-amine is sourced from PubChem (CID 81004629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).