N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine

C10H18N2 — CID 166678478

IUPACN-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine
SMILESC=C(NCC#CNCC)C(C)C
InChIInChI=1S/C10H18N2/c1-5-11-7-6-8-12-10(4)9(2)3/h9,11-12H,4-5,8H2,1-3H3
InChIKeyQPKGQPZQXALNTL-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.32
Rot. Bonds4

About N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine

N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine (PubChem CID 166678478) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine
PubChem CID166678478
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine
SMILESC=C(NCC#CNCC)C(C)C
InChIInChI=1S/C10H18N2/c1-5-11-7-6-8-12-10(4)9(2)3/h9,11-12H,4-5,8H2,1-3H3
InChIKeyQPKGQPZQXALNTL-UHFFFAOYSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethylethyne-1,2-diamine
CID 90816424
2-(ethylamino)ethynol
CID 173430999
N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine
CID 166948621
(Z)-N-(3-methylbut-1-en-2-yl)pent-2-en-3-amine
CID 167093836
N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine
CID 143703528
N-(3-methylbut-1-en-2-yl)propanamide
CID 144633988
ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 168888487
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 146366518
(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine
CID 146535612
3-methyl-N-methylsulfanylbut-1-en-2-amine
CID 174334782
N-prop-1-en-2-ylbut-2-yn-1-amine
CID 118697903

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine?
The IUPAC name of N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine (CID 166678478) is N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine is C=C(NCC#CNCC)C(C)C.
What is the InChIKey of N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine?
The InChIKey is QPKGQPZQXALNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-11-7-6-8-12-10(4)9(2)3/h9,11-12H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine?
N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-methylbut-1-en-2-yl)prop-1-yne-1,3-diamine is sourced from PubChem (CID 166678478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).