N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C15H32N2 — CID 114207737

IUPACN-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCC1CCCCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)17(3)12-11-16-13-15-9-7-5-4-6-8-10-15/h14-16H,4-13H2,1-3H3
InChIKeyMVZWQTCMWFTLNE-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds6

About N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 114207737) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID114207737
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCC1CCCCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)17(3)12-11-16-13-15-9-7-5-4-6-8-10-15/h14-16H,4-13H2,1-3H3
InChIKeyMVZWQTCMWFTLNE-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-(cyclohexylmethyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63504271
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106638352
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
N'-[1-(3-chlorophenyl)ethyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63503142
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 114207737) is N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCC1CCCCCCC1.
What is the InChIKey of N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MVZWQTCMWFTLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)17(3)12-11-16-13-15-9-7-5-4-6-8-10-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 114207737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).