N-(3,3-dimethylbutan-2-yl)cyclododecanamine

C18H37N — CID 104827794

IUPACN-(3,3-dimethylbutan-2-yl)cyclododecanamine
SMILESCC(NC1CCCCCCCCCCC1)C(C)(C)C
InChIInChI=1S/C18H37N/c1-16(18(2,3)4)19-17-14-12-10-8-6-5-7-9-11-13-15-17/h16-17,19H,5-15H2,1-4H3
InChIKeyGZVMPLJKHXJCAO-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.68
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)cyclododecanamine

N-(3,3-dimethylbutan-2-yl)cyclododecanamine (PubChem CID 104827794) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)cyclododecanamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)cyclododecanamine
PubChem CID104827794
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-(3,3-dimethylbutan-2-yl)cyclododecanamine
SMILESCC(NC1CCCCCCCCCCC1)C(C)(C)C
InChIInChI=1S/C18H37N/c1-16(18(2,3)4)19-17-14-12-10-8-6-5-7-9-11-13-15-17/h16-17,19H,5-15H2,1-4H3
InChIKeyGZVMPLJKHXJCAO-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
N-propan-2-ylcycloheptanamine
CID 42562651
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
1-N',1-N",2-N-tricyclohexylpropane-1,1,1,2-tetramine
CID 87082374
N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine
CID 104530181
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
1-N,1-N',2-N-tricyclohexyl-1-N"-silylpropane-1,1,1,2-tetramine
CID 173002311
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)cyclododecanamine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)cyclododecanamine (CID 104827794) is N-(3,3-dimethylbutan-2-yl)cyclododecanamine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)cyclododecanamine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)cyclododecanamine is CC(NC1CCCCCCCCCCC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)cyclododecanamine?
The InChIKey is GZVMPLJKHXJCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-16(18(2,3)4)19-17-14-12-10-8-6-5-7-9-11-13-15-17/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)cyclododecanamine?
N-(3,3-dimethylbutan-2-yl)cyclododecanamine has a molecular weight of 267.50 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)cyclododecanamine is sourced from PubChem (CID 104827794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).