3-[di(propan-2-yl)amino]propyl carbamate

C10H22N2O2 — CID 175431360

IUPAC3-[di(propan-2-yl)amino]propyl carbamate
SMILESCC(C)N(CCCOC(N)=O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)12(9(3)4)6-5-7-14-10(11)13/h8-9H,5-7H2,1-4H3,(H2,11,13)
InChIKeyXMKIXTVSQFDMJA-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.59
Rot. Bonds6

About 3-[di(propan-2-yl)amino]propyl carbamate

3-[di(propan-2-yl)amino]propyl carbamate (PubChem CID 175431360) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]propyl carbamate.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]propyl carbamate
PubChem CID175431360
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[di(propan-2-yl)amino]propyl carbamate
SMILESCC(C)N(CCCOC(N)=O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)12(9(3)4)6-5-7-14-10(11)13/h8-9H,5-7H2,1-4H3,(H2,11,13)
InChIKeyXMKIXTVSQFDMJA-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[3-[di(propan-2-yl)amino]propyl]hydroxylamine;dihydrochloride
CID 86737967
4-[di(propan-2-yl)amino]butyl carbonochloridate;formic acid
CID 159687836
3-[3-aminopropyl(methyl)amino]propyl carbamate
CID 155026882
9-carbamoyloxynonyl carbamate
CID 87883969
16-methylheptadecyl carbamate
CID 175072884
14-methylpentadecyl carbamate
CID 175375850
3-[3-chloropropyl(methyl)amino]propyl carbamate
CID 151629200
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;hydroiodide
CID 161347358
2-[di(propan-2-yl)amino]ethyl 2,2-dimethylpropanoate
CID 134213072
octacosyl carbamate
CID 160925840

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]propyl carbamate?
The IUPAC name of 3-[di(propan-2-yl)amino]propyl carbamate (CID 175431360) is 3-[di(propan-2-yl)amino]propyl carbamate.
What is the SMILES notation for 3-[di(propan-2-yl)amino]propyl carbamate?
The canonical SMILES for 3-[di(propan-2-yl)amino]propyl carbamate is CC(C)N(CCCOC(N)=O)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]propyl carbamate?
The InChIKey is XMKIXTVSQFDMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)12(9(3)4)6-5-7-14-10(11)13/h8-9H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of 3-[di(propan-2-yl)amino]propyl carbamate?
3-[di(propan-2-yl)amino]propyl carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]propyl carbamate is sourced from PubChem (CID 175431360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).