1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine

C14H29N3 — CID 91205518

IUPAC1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine
SMILESCCCC(CN(C)C1CC=NC1)C(N)C(C)C
InChIInChI=1S/C14H29N3/c1-5-6-12(14(15)11(2)3)10-17(4)13-7-8-16-9-13/h8,11-14H,5-7,9-10,15H2,1-4H3
InChIKeyJWBJUUUHUHZSQJ-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.16
Rot. Bonds7

About 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine

1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine (PubChem CID 91205518) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine
PubChem CID91205518
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine
SMILESCCCC(CN(C)C1CC=NC1)C(N)C(C)C
InChIInChI=1S/C14H29N3/c1-5-6-12(14(15)11(2)3)10-17(4)13-7-8-16-9-13/h8,11-14H,5-7,9-10,15H2,1-4H3
InChIKeyJWBJUUUHUHZSQJ-UHFFFAOYSA-N
XLogP2.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine (CID 91205518) is 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine is CCCC(CN(C)C1CC=NC1)C(N)C(C)C.
What is the InChIKey of 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine?
The InChIKey is JWBJUUUHUHZSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-6-12(14(15)11(2)3)10-17(4)13-7-8-16-9-13/h8,11-14H,5-7,9-10,15H2,1-4H3.
What are the key properties of 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine?
1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine has a molecular weight of 239.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-pyrrol-3-yl)-1-N,4-dimethyl-2-propylpentane-1,3-diamine is sourced from PubChem (CID 91205518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).