N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

C14H24N4 — CID 44547568

IUPACN-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCCCCNc1cc(N2CC[C@H](NC)C2)ccn1
InChIInChI=1S/C14H24N4/c1-3-4-7-16-14-10-13(5-8-17-14)18-9-6-12(11-18)15-2/h5,8,10,12,15H,3-4,6-7,9,11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyLXTSAPHWFHGYGW-LBPRGKRZSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds6

About N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 44547568) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID44547568
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCCCCNc1cc(N2CC[C@H](NC)C2)ccn1
InChIInChI=1S/C14H24N4/c1-3-4-7-16-14-10-13(5-8-17-14)18-9-6-12(11-18)15-2/h5,8,10,12,15H,3-4,6-7,9,11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyLXTSAPHWFHGYGW-LBPRGKRZSA-N
XLogP2.09
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 44547568) is N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CCCCNc1cc(N2CC[C@H](NC)C2)ccn1.
What is the InChIKey of N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is LXTSAPHWFHGYGW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-4-7-16-14-10-13(5-8-17-14)18-9-6-12(11-18)15-2/h5,8,10,12,15H,3-4,6-7,9,11H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 44547568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).