3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine

C12H26N2 — CID 83863334

IUPAC3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine
SMILESCCN(CC)C1CCCCC(NC)C1
InChIInChI=1S/C12H26N2/c1-4-14(5-2)12-9-7-6-8-11(10-12)13-3/h11-13H,4-10H2,1-3H3
InChIKeyBHLRXQPVLJNRBS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

About 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine

3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine (PubChem CID 83863334) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine
PubChem CID83863334
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine
SMILESCCN(CC)C1CCCCC(NC)C1
InChIInChI=1S/C12H26N2/c1-4-14(5-2)12-9-7-6-8-11(10-12)13-3/h11-13H,4-10H2,1-3H3
InChIKeyBHLRXQPVLJNRBS-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-1-N-methyl-3-N-propylcyclopentane-1,3-diamine
CID 79644235
N,N-diethylcycloundecanamine
CID 163828609
trans-(1S,3S)-1-N,1-N,3-N-trimethylcyclohexane-1,3-diamine
CID 139514025
N,N-diethylcyclobutanamine;ethane
CID 170746144
1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
CID 79618494
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
1-N-ethyl-1-N-(2-ethylbutyl)-3-N-propylcyclohexane-1,3-diamine
CID 79631157
N'-cyclohexyl-1-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63912104
1-N-cyclohexyl-1-N,3-N-diethylcyclohexane-1,3-diamine
CID 79630666
N-methyl-3-[1-[3-(methylamino)cyclohexyl]propyl]cyclohexan-1-amine
CID 54196877

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine (CID 83863334) is 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine is CCN(CC)C1CCCCC(NC)C1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine?
The InChIKey is BHLRXQPVLJNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-14(5-2)12-9-7-6-8-11(10-12)13-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine?
3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine is sourced from PubChem (CID 83863334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).