N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine

C15H30N4 — CID 62976020

IUPACN-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCN(C3CC3)C2)C1
InChIInChI=1S/C15H30N4/c1-17-8-3-4-14(10-17)18(2)15(11-16)7-9-19(12-15)13-5-6-13/h13-14H,3-12,16H2,1-2H3
InChIKeyGQGKTTWEZXHOFX-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.58
Rot. Bonds4

About N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine

N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine (PubChem CID 62976020) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine
PubChem CID62976020
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCN(C3CC3)C2)C1
InChIInChI=1S/C15H30N4/c1-17-8-3-4-14(10-17)18(2)15(11-16)7-9-19(12-15)13-5-6-13/h13-14H,3-12,16H2,1-2H3
InChIKeyGQGKTTWEZXHOFX-UHFFFAOYSA-N
XLogP0.58
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 62977319
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
CID 80705339
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64753446
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64755493
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
3-(aminomethyl)-1-cyclopropyl-N,N-diethylpyrrolidin-3-amine
CID 62975820
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 79847644
3-(aminomethyl)-1-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)pyrrolidin-3-amine
CID 62977877
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
3-(aminomethyl)-N-butyl-1-cyclopropyl-N-ethylpyrrolidin-3-amine
CID 62975638
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine (CID 62976020) is N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)C2(CN)CCN(C3CC3)C2)C1.
What is the InChIKey of N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is GQGKTTWEZXHOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-17-8-3-4-14(10-17)18(2)15(11-16)7-9-19(12-15)13-5-6-13/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine?
N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 266.43 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-1-cyclopropylpyrrolidin-3-yl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 62976020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).