1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine

C18H38N2 — CID 43271985

IUPAC1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
SMILESCC(C)CN(C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C18H38N2/c1-17(2)15-20(3)18(16-19)13-11-9-7-5-4-6-8-10-12-14-18/h17H,4-16,19H2,1-3H3
InChIKeyFKZXAAKDMQKVNZ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.58
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine

1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine (PubChem CID 43271985) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
PubChem CID43271985
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
SMILESCC(C)CN(C)C1(CN)CCCCCCCCCCC1
InChIInChI=1S/C18H38N2/c1-17(2)15-20(3)18(16-19)13-11-9-7-5-4-6-8-10-12-14-18/h17H,4-16,19H2,1-3H3
InChIKeyFKZXAAKDMQKVNZ-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
1-(aminomethyl)-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106450883
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 112682322
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
1-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylcyclododecan-1-amine
CID 63467204
1-(aminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 79520911
8-(aminomethyl)-N-methyl-N-(2-methylbutyl)spiro[4.5]decan-8-amine
CID 114818035
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine (CID 43271985) is 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine is CC(C)CN(C)C1(CN)CCCCCCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine?
The InChIKey is FKZXAAKDMQKVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-17(2)15-20(3)18(16-19)13-11-9-7-5-4-6-8-10-12-14-18/h17H,4-16,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine?
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine is sourced from PubChem (CID 43271985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).