N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine

C14H31N3 — CID 81469258

IUPACN,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine
SMILESCCC(CNC(C)C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-7-13(8-15-11(2)3)17-9-12(4)14(10-17)16(5)6/h11-15H,7-10H2,1-6H3
InChIKeyPKBKMVVFHIEKGS-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.64
Rot. Bonds6

About N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine (PubChem CID 81469258) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine
PubChem CID81469258
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine
SMILESCCC(CNC(C)C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H31N3/c1-7-13(8-15-11(2)3)17-9-12(4)14(10-17)16(5)6/h11-15H,7-10H2,1-6H3
InChIKeyPKBKMVVFHIEKGS-UHFFFAOYSA-N
XLogP1.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine (CID 81469258) is N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine is CCC(CNC(C)C)N1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine?
The InChIKey is PKBKMVVFHIEKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-7-13(8-15-11(2)3)17-9-12(4)14(10-17)16(5)6/h11-15H,7-10H2,1-6H3.
What are the key properties of N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.64, 6 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-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 81469258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).