propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate

C12H26N2O2 — CID 116653876

IUPACpropan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
SMILESCC(C)OC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)8-7-13-12(15)16-11(5)6/h9-11H,7-8H2,1-6H3,(H,13,15)
InChIKeyTUTDXAKVOSVAHN-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.24
Rot. Bonds6

About propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate

propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate (PubChem CID 116653876) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
PubChem CID116653876
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namepropan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
SMILESCC(C)OC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)8-7-13-12(15)16-11(5)6/h9-11H,7-8H2,1-6H3,(H,13,15)
InChIKeyTUTDXAKVOSVAHN-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
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propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate
CID 116655237
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307
propan-2-yl N-(3-methylsulfonylpropyl)carbamate
CID 116655205
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
2-(propan-2-yloxycarbonylamino)ethyl carbonochloridate
CID 14073059

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate (CID 116653876) is propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate is CC(C)OC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
The InChIKey is TUTDXAKVOSVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)14(10(3)4)8-7-13-12(15)16-11(5)6/h9-11H,7-8H2,1-6H3,(H,13,15).
What are the key properties of propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate?
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 116653876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).