N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine

C12H25N3 — CID 115453628

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2(CN)CC2)CC1
InChIInChI=1S/C12H25N3/c1-14-7-3-11(4-8-14)15(2)10-12(9-13)5-6-12/h11H,3-10,13H2,1-2H3
InChIKeyZHKLVCVQTBEDDK-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 115453628) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID115453628
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2(CN)CC2)CC1
InChIInChI=1S/C12H25N3/c1-14-7-3-11(4-8-14)15(2)10-12(9-13)5-6-12/h11H,3-10,13H2,1-2H3
InChIKeyZHKLVCVQTBEDDK-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1,3,3-Trimethylpiperidin-4-amine
CID 68271528
1-Butylpiperidin-4-amine
CID 12262820
1-(Cyclopropylmethyl)piperidin-4-amine
CID 17221624
1-Propylpiperidin-4-amine
CID 541730
N-cyclopropyl-1-methylpiperidin-4-amine
CID 2735901
1-Cyclopropylpiperidin-4-amine
CID 16227644
1-tert-Butylpiperidin-4-amine
CID 17750401
3-(Piperidin-1-yl)butan-1-amine
CID 21890114
1-(Sec-butyl)piperidin-4-amine
CID 24706238

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine (CID 115453628) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2(CN)CC2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is ZHKLVCVQTBEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-7-3-11(4-8-14)15(2)10-12(9-13)5-6-12/h11H,3-10,13H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 115453628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).