N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine

C23H40N2 — CID 113242307

IUPACN-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(Cc2ccccc2)C(C)C)CCCCCC1
InChIInChI=1S/C23H40N2/c1-20(2)16-24-18-23(14-10-5-6-11-15-23)19-25(21(3)4)17-22-12-8-7-9-13-22/h7-9,12-13,20-21,24H,5-6,10-11,14-19H2,1-4H3
InChIKeyNFQGRGWZUFCXRU-UHFFFAOYSA-N
MW344.59 g/mol
LogP5.48
Rot. Bonds9

About N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine

N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine (PubChem CID 113242307) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
PubChem CID113242307
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC NameN-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(Cc2ccccc2)C(C)C)CCCCCC1
InChIInChI=1S/C23H40N2/c1-20(2)16-24-18-23(14-10-5-6-11-15-23)19-25(21(3)4)17-22-12-8-7-9-13-22/h7-9,12-13,20-21,24H,5-6,10-11,14-19H2,1-4H3
InChIKeyNFQGRGWZUFCXRU-UHFFFAOYSA-N
XLogP5.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63533952
2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-phenylmethanamine
CID 55052101
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497
2-methyl-N-[[1-[[methyl(2-methylsulfanylethyl)amino]methyl]cycloheptyl]methyl]propan-1-amine
CID 115987410
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
2-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 55056164
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine (CID 113242307) is N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CN(Cc2ccccc2)C(C)C)CCCCCC1.
What is the InChIKey of N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NFQGRGWZUFCXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-20(2)16-24-18-23(14-10-5-6-11-15-23)19-25(21(3)4)17-22-12-8-7-9-13-22/h7-9,12-13,20-21,24H,5-6,10-11,14-19H2,1-4H3.
What are the key properties of N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine has a molecular weight of 344.59 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[benzyl(propan-2-yl)amino]methyl]cycloheptyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 113242307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).