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

C17H34N2 — CID 79184587

IUPACN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1(CN2CC(C)C(C)C2)CCCCCC1
InChIInChI=1S/C17H34N2/c1-4-18-13-17(9-7-5-6-8-10-17)14-19-11-15(2)16(3)12-19/h15-16,18H,4-14H2,1-3H3
InChIKeyDZVCNBNOOHIHSH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

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

N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine (PubChem CID 79184587) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
PubChem CID79184587
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1(CN2CC(C)C(C)C2)CCCCCC1
InChIInChI=1S/C17H34N2/c1-4-18-13-17(9-7-5-6-8-10-17)14-19-11-15(2)16(3)12-19/h15-16,18H,4-14H2,1-3H3
InChIKeyDZVCNBNOOHIHSH-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 114539697
1-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475330
1-[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 79183848
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 79183549
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051513
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 79183944
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157
N-[[1-[(4-ethylpiperazin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 62263344
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine (CID 79184587) is N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine is CCNCC1(CN2CC(C)C(C)C2)CCCCCC1.
What is the InChIKey of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine?
The InChIKey is DZVCNBNOOHIHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-18-13-17(9-7-5-6-8-10-17)14-19-11-15(2)16(3)12-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine?
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 79184587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).