N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

C16H30N2 — CID 112740099

IUPACN-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCC2CC21)C1CCCCC1
InChIInChI=1S/C16H30N2/c1-18(14-6-3-2-4-7-14)11-5-10-17-16-9-8-13-12-15(13)16/h13-17H,2-12H2,1H3
InChIKeyYBJJXPWMKJKDPN-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds6

About N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (PubChem CID 112740099) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
PubChem CID112740099
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1CCC2CC21)C1CCCCC1
InChIInChI=1S/C16H30N2/c1-18(14-6-3-2-4-7-14)11-5-10-17-16-9-8-13-12-15(13)16/h13-17H,2-12H2,1H3
InChIKeyYBJJXPWMKJKDPN-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
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

2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60981234
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
CID 54981732
N'-cyclohexyl-N-(2,2-dimethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 79834348
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (CID 112740099) is N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is CN(CCCNC1CCC2CC21)C1CCCCC1.
What is the InChIKey of N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The InChIKey is YBJJXPWMKJKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-18(14-6-3-2-4-7-14)11-5-10-17-16-9-8-13-12-15(13)16/h13-17H,2-12H2,1H3.
What are the key properties of N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 112740099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).