2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine

C17H35N3 — CID 79313203

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine
SMILESCCN1CCCC1CN(C)CC1CCCCCC1NC
InChIInChI=1S/C17H35N3/c1-4-20-12-8-10-16(20)14-19(3)13-15-9-6-5-7-11-17(15)18-2/h15-18H,4-14H2,1-3H3
InChIKeyCTSKXJVWHWJSKQ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine (PubChem CID 79313203) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine
PubChem CID79313203
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine
SMILESCCN1CCCC1CN(C)CC1CCCCCC1NC
InChIInChI=1S/C17H35N3/c1-4-20-12-8-10-16(20)14-19(3)13-15-9-6-5-7-11-17(15)18-2/h15-18H,4-14H2,1-3H3
InChIKeyCTSKXJVWHWJSKQ-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 79565966
N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234425
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 79313488
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79303418
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 79310538
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 79319830
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 113441645
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine (CID 79313203) is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine is CCN1CCCC1CN(C)CC1CCCCCC1NC.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine?
The InChIKey is CTSKXJVWHWJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-20-12-8-10-16(20)14-19(3)13-15-9-6-5-7-11-17(15)18-2/h15-18H,4-14H2,1-3H3.
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine?
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 79313203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).