4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine

C14H27N3 — CID 105365185

IUPAC4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC1CC1CN(C)C1(CN)CCN2CCC1C2
InChIInChI=1S/C14H27N3/c1-11-7-12(11)8-16(2)14(10-15)4-6-17-5-3-13(14)9-17/h11-13H,3-10,15H2,1-2H3
InChIKeyLHXWZUWNGMMRCO-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.00
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365185) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365185
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC1CC1CN(C)C1(CN)CCN2CCC1C2
InChIInChI=1S/C14H27N3/c1-11-7-12(11)8-16(2)14(10-15)4-6-17-5-3-13(14)9-17/h11-13H,3-10,15H2,1-2H3
InChIKeyLHXWZUWNGMMRCO-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-propan-2-yl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364972
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365091
4-(aminomethyl)-N-methyl-N-(4-methylphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365124
4-(aminomethyl)-N-(4-methoxyphenyl)-N-methyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365117
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365076
1-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]cycloheptan-1-amine
CID 63879073
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65075980
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365112
1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64763172
4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365876
2-[4-[4-(aminomethyl)-1-azabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 105365146
[4-(5-ethyl-2-methylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365059

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105365185) is 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine is CC1CC1CN(C)C1(CN)CCN2CCC1C2.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is LHXWZUWNGMMRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-7-12(11)8-16(2)14(10-15)4-6-17-5-3-13(14)9-17/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).