N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine

C19H38N2 — CID 63467436

IUPACN-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1N1CCC(C)CC1
InChIInChI=1S/C19H38N2/c1-17-13-15-21(16-14-17)19-12-10-8-6-4-3-5-7-9-11-18(19)20-2/h17-20H,3-16H2,1-2H3
InChIKeyBDKQGZSBNXVGPC-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.59
Rot. Bonds2

About N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine

N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine (PubChem CID 63467436) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
PubChem CID63467436
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
SMILESCNC1CCCCCCCCCCC1N1CCC(C)CC1
InChIInChI=1S/C19H38N2/c1-17-13-15-21(16-14-17)19-12-10-8-6-4-3-5-7-9-11-18(19)20-2/h17-20H,3-16H2,1-2H3
InChIKeyBDKQGZSBNXVGPC-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
CID 55032625
trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
CID 67550021
2-[4-(methoxymethyl)piperidin-1-yl]-N-methylcyclooctan-1-amine
CID 63971324
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine
CID 62997233
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylcycloheptan-1-amine
CID 113335649
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine
CID 63609321
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-amine
CID 62997411

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine?
The IUPAC name of N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine (CID 63467436) is N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine?
The canonical SMILES for N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine is CNC1CCCCCCCCCCC1N1CCC(C)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine?
The InChIKey is BDKQGZSBNXVGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-17-13-15-21(16-14-17)19-12-10-8-6-4-3-5-7-9-11-18(19)20-2/h17-20H,3-16H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine?
N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine is sourced from PubChem (CID 63467436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).