1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

C16H33N3 — CID 79303833

IUPAC1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCN1CCCC1CN(C)C(CN)C1CCCCCC1
InChIInChI=1S/C16H33N3/c1-18-11-7-10-15(18)13-19(2)16(12-17)14-8-5-3-4-6-9-14/h14-16H,3-13,17H2,1-2H3
InChIKeyFOONSHGUGPMNSM-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds5

About 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine

1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (PubChem CID 79303833) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
PubChem CID79303833
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
SMILESCN1CCCC1CN(C)C(CN)C1CCCCCC1
InChIInChI=1S/C16H33N3/c1-18-11-7-10-15(18)13-19(2)16(12-17)14-8-5-3-4-6-9-14/h14-16H,3-13,17H2,1-2H3
InChIKeyFOONSHGUGPMNSM-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 79304121
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
1-cyclopentyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233100
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 79303847
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 79314280
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
1-(3,5-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303428
4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
CID 79303980
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine (CID 79303833) is 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is CN1CCCC1CN(C)C(CN)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is FOONSHGUGPMNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-18-11-7-10-15(18)13-19(2)16(12-17)14-8-5-3-4-6-9-14/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine?
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79303833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).