N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine

C19H40N2 — CID 79059306

IUPACN,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
SMILESCCCCCCCCCC(NC)C(C)(CC)N1CCCC1
InChIInChI=1S/C19H40N2/c1-5-7-8-9-10-11-12-15-18(20-4)19(3,6-2)21-16-13-14-17-21/h18,20H,5-17H2,1-4H3
InChIKeyYJJGDJULHCRHCQ-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.98
Rot. Bonds12

About N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine

N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine (PubChem CID 79059306) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
PubChem CID79059306
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
SMILESCCCCCCCCCC(NC)C(C)(CC)N1CCCC1
InChIInChI=1S/C19H40N2/c1-5-7-8-9-10-11-12-15-18(20-4)19(3,6-2)21-16-13-14-17-21/h18,20H,5-17H2,1-4H3
InChIKeyYJJGDJULHCRHCQ-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.98
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,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
(3-methyl-3-piperidin-1-yloctan-4-yl)hydrazine
CID 105241246
(3,8-dimethyl-3-piperidin-1-ylnonan-4-yl)hydrazine
CID 105241424
N,2-dimethyl-2-piperidin-1-ylheptan-3-amine
CID 79045929
N,3,3-trimethylhexadecan-4-amine
CID 115846506
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine
CID 114856241
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine?
The IUPAC name of N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine (CID 79059306) is N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine.
What is the SMILES notation for N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine?
The canonical SMILES for N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine is CCCCCCCCCC(NC)C(C)(CC)N1CCCC1.
What is the InChIKey of N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine?
The InChIKey is YJJGDJULHCRHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-5-7-8-9-10-11-12-15-18(20-4)19(3,6-2)21-16-13-14-17-21/h18,20H,5-17H2,1-4H3.
What are the key properties of N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine?
N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine has a molecular weight of 296.54 g/mol, XLogP of 4.98, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine is sourced from PubChem (CID 79059306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).