[bis(prop-2-ynyl)amino]methanol

C7H9NO — CID 158644240

IUPAC[bis(prop-2-ynyl)amino]methanol
SMILESC#CCN(CO)CC#C
InChIInChI=1S/C7H9NO/c1-3-5-8(7-9)6-4-2/h1-2,9H,5-7H2
InChIKeyIATPIMDDXQRWKK-UHFFFAOYSA-N
MW123.15 g/mol
LogP-0.50
Rot. Bonds3

About [bis(prop-2-ynyl)amino]methanol

[bis(prop-2-ynyl)amino]methanol (PubChem CID 158644240) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is [bis(prop-2-ynyl)amino]methanol.

Molecular Properties

Compound Name[bis(prop-2-ynyl)amino]methanol
PubChem CID158644240
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name[bis(prop-2-ynyl)amino]methanol
SMILESC#CCN(CO)CC#C
InChIInChI=1S/C7H9NO/c1-3-5-8(7-9)6-4-2/h1-2,9H,5-7H2
InChIKeyIATPIMDDXQRWKK-UHFFFAOYSA-N
XLogP-0.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 130666079
3-[carboxymethyl(prop-2-ynyl)amino]propanoic acid
CID 82330647
1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol
CID 139342756
[bis(hydroxymethyl)amino]methanol;titanium
CID 174785911
2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
CID 60969370
2-[(2-hydroxy-2-methylpropyl)-prop-2-ynylamino]acetic acid
CID 79274217
(E)-N,N-bis(prop-2-ynyl)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 22737465
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274369
2-[3-cyanopropyl(prop-2-ynyl)amino]acetic acid
CID 79283378
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl-prop-2-ynylamino]ethanol
CID 166558154
2-[cycloheptylmethyl(prop-2-ynyl)amino]acetic acid
CID 79287703
2-[octyl(prop-2-ynyl)amino]acetic acid
CID 79283704

Frequently Asked Questions

What is the IUPAC name of [bis(prop-2-ynyl)amino]methanol?
The IUPAC name of [bis(prop-2-ynyl)amino]methanol (CID 158644240) is [bis(prop-2-ynyl)amino]methanol.
What is the SMILES notation for [bis(prop-2-ynyl)amino]methanol?
The canonical SMILES for [bis(prop-2-ynyl)amino]methanol is C#CCN(CO)CC#C.
What is the InChIKey of [bis(prop-2-ynyl)amino]methanol?
The InChIKey is IATPIMDDXQRWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-5-8(7-9)6-4-2/h1-2,9H,5-7H2.
What are the key properties of [bis(prop-2-ynyl)amino]methanol?
[bis(prop-2-ynyl)amino]methanol has a molecular weight of 123.15 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(prop-2-ynyl)amino]methanol is sourced from PubChem (CID 158644240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).