N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine

C17H36N2 — CID 107163173

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-5-6-7-8-9-10-16(2)18-15-17(3)11-13-19(4)14-12-17/h16,18H,5-15H2,1-4H3
InChIKeyDOGKQGWRBQSRNC-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine (PubChem CID 107163173) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
PubChem CID107163173
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C17H36N2/c1-5-6-7-8-9-10-16(2)18-15-17(3)11-13-19(4)14-12-17/h16,18H,5-15H2,1-4H3
InChIKeyDOGKQGWRBQSRNC-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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

N-[(1-methylcyclobutyl)methyl]hexan-2-amine
CID 103903182
N-[(1-methylcyclopropyl)methyl]tetradecan-7-amine
CID 139447352
N-[(3-methylpiperidin-3-yl)methyl]heptan-2-amine
CID 63133078
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
4-methyl-N-nonan-2-ylpiperazin-1-amine
CID 83009221
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750822
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]octan-2-amine
CID 103903995
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
CID 107164199
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine (CID 107163173) is N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine is CCCCCCCC(C)NCC1(C)CCN(C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine?
The InChIKey is DOGKQGWRBQSRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-6-7-8-9-10-16(2)18-15-17(3)11-13-19(4)14-12-17/h16,18H,5-15H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine is sourced from PubChem (CID 107163173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).