N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine

C14H31N3 — CID 55158377

IUPACN,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
SMILESCC(C)NCCCC(C)N1CCC(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-12(2)15-9-6-7-13(3)17-10-8-14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyWYATXTGCXRCMHG-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds7

About N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine

N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine (PubChem CID 55158377) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
PubChem CID55158377
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
SMILESCC(C)NCCCC(C)N1CCC(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-12(2)15-9-6-7-13(3)17-10-8-14(11-17)16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyWYATXTGCXRCMHG-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
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-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine (CID 55158377) is N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine is CC(C)NCCCC(C)N1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
The InChIKey is WYATXTGCXRCMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)15-9-6-7-13(3)17-10-8-14(11-17)16(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine?
N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 7 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-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 55158377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).