N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine

C13H29N3 — CID 62432463

IUPACN,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
SMILESCNCCCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(6-5-9-14-2)16-10-7-13(8-11-16)15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyLIFBRFYPRDAHFY-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds6

About N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine

N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine (PubChem CID 62432463) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
PubChem CID62432463
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine
SMILESCNCCCC(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3/c1-12(6-5-9-14-2)16-10-7-13(8-11-16)15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyLIFBRFYPRDAHFY-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine (CID 62432463) is N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine is CNCCCC(C)N1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine?
The InChIKey is LIFBRFYPRDAHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(6-5-9-14-2)16-10-7-13(8-11-16)15(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine?
N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(methylamino)pentan-2-yl]piperidin-4-amine is sourced from PubChem (CID 62432463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).