1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine

C11H20N2 — CID 143891060

IUPAC1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine
SMILESC#CC(NC(=C)NCCC)C(C)C
InChIInChI=1S/C11H20N2/c1-6-8-12-10(5)13-11(7-2)9(3)4/h2,9,11-13H,5-6,8H2,1,3-4H3
InChIKeyHNWCRLGZSNZZNW-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.70
Rot. Bonds6

About 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine

1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine (PubChem CID 143891060) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine
PubChem CID143891060
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine
SMILESC#CC(NC(=C)NCCC)C(C)C
InChIInChI=1S/C11H20N2/c1-6-8-12-10(5)13-11(7-2)9(3)4/h2,9,11-13H,5-6,8H2,1,3-4H3
InChIKeyHNWCRLGZSNZZNW-UHFFFAOYSA-N
XLogP1.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
1-N'-(3,3-diethylhexan-2-yl)-1-N-propylethene-1,1-diamine
CID 170018068
1-[(3R)-4-methylpent-1-yn-3-yl]-3-pent-4-ynylurea
CID 100690270
N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 78912815
1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 169160448
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
1-[(3R)-4-methylpent-1-yn-3-yl]-3-[(3R)-3-[(R)-methylsulfinyl]butyl]urea
CID 129434504
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine
CID 126658180

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine?
The IUPAC name of 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine (CID 143891060) is 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine.
What is the SMILES notation for 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine?
The canonical SMILES for 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine is C#CC(NC(=C)NCCC)C(C)C.
What is the InChIKey of 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine?
The InChIKey is HNWCRLGZSNZZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-8-12-10(5)13-11(7-2)9(3)4/h2,9,11-13H,5-6,8H2,1,3-4H3.
What are the key properties of 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine?
1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-methylpent-1-yn-3-yl)-1-N-propylethene-1,1-diamine is sourced from PubChem (CID 143891060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).