N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine

C28H53N — CID 146209039

IUPACN-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
SMILESC1CCCCC(CNC2CCCCC2C2CCCCCCCCCC2)CCCC1
InChIInChI=1S/C28H53N/c1-2-7-11-15-21-26(20-14-10-6-1)27-22-16-17-23-28(27)29-24-25-18-12-8-4-3-5-9-13-19-25/h25-29H,1-24H2
InChIKeyFJIOTBFFFFLING-UHFFFAOYSA-N
MW403.74 g/mol
LogP8.81
Rot. Bonds4

About N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine

N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine (PubChem CID 146209039) has the molecular formula C28H53N and a molecular weight of 403.74 g/mol. Its IUPAC name is N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
PubChem CID146209039
Molecular FormulaC28H53N
Molecular Weight403.74 g/mol
Exact Mass403.42
IUPAC NameN-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
SMILESC1CCCCC(CNC2CCCCC2C2CCCCCCCCCC2)CCCC1
InChIInChI=1S/C28H53N/c1-2-7-11-15-21-26(20-14-10-6-1)27-22-16-17-23-28(27)29-24-25-18-12-8-4-3-5-9-13-19-25/h25-29H,1-24H2
InChIKeyFJIOTBFFFFLING-UHFFFAOYSA-N
XLogP8.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.74
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
CID 107295198
2-cyclohexyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107416929
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
2-(2-bicyclo[4.2.0]octanyl)-4-cycloheptyl-3-cyclohexyl-N-(cyclohexylmethyl)cyclobutan-1-amine
CID 139528193
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
N-(cyclohexylmethyl)bicyclo[3.1.0]hexan-6-amine
CID 131176637
N-(cyclobutylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79545811
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514

Frequently Asked Questions

What is the IUPAC name of N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine?
The IUPAC name of N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine (CID 146209039) is N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine.
What is the SMILES notation for N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine?
The canonical SMILES for N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine is C1CCCCC(CNC2CCCCC2C2CCCCCCCCCC2)CCCC1.
What is the InChIKey of N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine?
The InChIKey is FJIOTBFFFFLING-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53N/c1-2-7-11-15-21-26(20-14-10-6-1)27-22-16-17-23-28(27)29-24-25-18-12-8-4-3-5-9-13-19-25/h25-29H,1-24H2.
What are the key properties of N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine?
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine has a molecular weight of 403.74 g/mol, XLogP of 8.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine is sourced from PubChem (CID 146209039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).