N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine

C11H24N2 — CID 115453904

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCC1(CN)CC1
InChIInChI=1S/C11H24N2/c1-9(2)10(3)6-13-8-11(7-12)4-5-11/h9-10,13H,4-8,12H2,1-3H3
InChIKeyYRGOKCFDSPWUAD-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.61
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine (PubChem CID 115453904) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine
PubChem CID115453904
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCC1(CN)CC1
InChIInChI=1S/C11H24N2/c1-9(2)10(3)6-13-8-11(7-12)4-5-11/h9-10,13H,4-8,12H2,1-3H3
InChIKeyYRGOKCFDSPWUAD-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
CID 115453956
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 64599570
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 115244264
N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
CID 107815647
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106293810
N'-[(1-ethylcyclopropyl)methyl]-2-methyl-1-phenylpropane-1,3-diamine
CID 114100617
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate
CID 115456912

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine (CID 115453904) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is YRGOKCFDSPWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)10(3)6-13-8-11(7-12)4-5-11/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 115453904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).