1-N-pyrrolidin-1-ylbutane-1,3-diamine

C8H19N3 — CID 57159104

IUPAC1-N-pyrrolidin-1-ylbutane-1,3-diamine
SMILESCC(N)CCNN1CCCC1
InChIInChI=1S/C8H19N3/c1-8(9)4-5-10-11-6-2-3-7-11/h8,10H,2-7,9H2,1H3
InChIKeySFXSBGMDUHPPLN-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.32
Rot. Bonds4

About 1-N-pyrrolidin-1-ylbutane-1,3-diamine

1-N-pyrrolidin-1-ylbutane-1,3-diamine (PubChem CID 57159104) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-N-pyrrolidin-1-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-pyrrolidin-1-ylbutane-1,3-diamine
PubChem CID57159104
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1-N-pyrrolidin-1-ylbutane-1,3-diamine
SMILESCC(N)CCNN1CCCC1
InChIInChI=1S/C8H19N3/c1-8(9)4-5-10-11-6-2-3-7-11/h8,10H,2-7,9H2,1H3
InChIKeySFXSBGMDUHPPLN-UHFFFAOYSA-N
XLogP0.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-pyrrolidin-1-ylbutane-1,3-diamine?
The IUPAC name of 1-N-pyrrolidin-1-ylbutane-1,3-diamine (CID 57159104) is 1-N-pyrrolidin-1-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N-pyrrolidin-1-ylbutane-1,3-diamine?
The canonical SMILES for 1-N-pyrrolidin-1-ylbutane-1,3-diamine is CC(N)CCNN1CCCC1.
What is the InChIKey of 1-N-pyrrolidin-1-ylbutane-1,3-diamine?
The InChIKey is SFXSBGMDUHPPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-8(9)4-5-10-11-6-2-3-7-11/h8,10H,2-7,9H2,1H3.
What are the key properties of 1-N-pyrrolidin-1-ylbutane-1,3-diamine?
1-N-pyrrolidin-1-ylbutane-1,3-diamine has a molecular weight of 157.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pyrrolidin-1-ylbutane-1,3-diamine is sourced from PubChem (CID 57159104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).