N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine

C16H35N3 — CID 81469175

IUPACN,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine
SMILESCC(C)CNCCCCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H35N3/c1-14(2)11-17-9-7-6-8-10-19-12-15(3)16(13-19)18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyHOXLPJKHOSFEHD-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds9

About N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine (PubChem CID 81469175) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine
PubChem CID81469175
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine
SMILESCC(C)CNCCCCCN1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H35N3/c1-14(2)11-17-9-7-6-8-10-19-12-15(3)16(13-19)18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyHOXLPJKHOSFEHD-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
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,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine (CID 81469175) is N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine is CC(C)CNCCCCCN1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine?
The InChIKey is HOXLPJKHOSFEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(2)11-17-9-7-6-8-10-19-12-15(3)16(13-19)18(4)5/h14-17H,6-13H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine is sourced from PubChem (CID 81469175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).