N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C14H30N2 — CID 62634350

IUPACN-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCCCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)16(3)12-11-15-14-9-7-5-4-6-8-10-14/h13-15H,4-12H2,1-3H3
InChIKeyBQSQLJUZTONLIG-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds5

About N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62634350) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62634350
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCCCCCC1
InChIInChI=1S/C14H30N2/c1-13(2)16(3)12-11-15-14-9-7-5-4-6-8-10-14/h13-15H,4-12H2,1-3H3
InChIKeyBQSQLJUZTONLIG-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62575849
N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62573668
N-cyclopentyl-N'-(1-cyclopropylethyl)-N'-methylethane-1,2-diamine
CID 60849992
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62575675
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
N-(3,4-dimethylcyclohexyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64746812
1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine
CID 67932845

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62634350) is N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is BQSQLJUZTONLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)16(3)12-11-15-14-9-7-5-4-6-8-10-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62634350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).