1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine

C16H32N2 — CID 79183848

IUPAC1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(CN2CC(C)C(C)C2)CCCCCC1
InChIInChI=1S/C16H32N2/c1-14-10-18(11-15(14)2)13-16(12-17-3)8-6-4-5-7-9-16/h14-15,17H,4-13H2,1-3H3
InChIKeyILOGNCBFRKLHHH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine

1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine (PubChem CID 79183848) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
PubChem CID79183848
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(CN2CC(C)C(C)C2)CCCCCC1
InChIInChI=1S/C16H32N2/c1-14-10-18(11-15(14)2)13-16(12-17-3)8-6-4-5-7-9-16/h14-15,17H,4-13H2,1-3H3
InChIKeyILOGNCBFRKLHHH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 79183549
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
3-methyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 114682011
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 79183944
N-methyl-1-[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 62256723
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
CID 62973523
1-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 63151689
1-[1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 62257745
N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine
CID 55159336

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine (CID 79183848) is 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine is CNCC1(CN2CC(C)C(C)C2)CCCCCC1.
What is the InChIKey of 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
The InChIKey is ILOGNCBFRKLHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-10-18(11-15(14)2)13-16(12-17-3)8-6-4-5-7-9-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine?
1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 79183848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).