N-[2-(2,2-dimethylpropylamino)ethyl]carbamate

C8H17N2O2- — CID 23156307

IUPACN-[2-(2,2-dimethylpropylamino)ethyl]carbamate
SMILESCC(C)(C)CNCCNC(=O)[O-]
InChIInChI=1S/C8H18N2O2/c1-8(2,3)6-9-4-5-10-7(11)12/h9-10H,4-6H2,1-3H3,(H,11,12)/p-1
InChIKeyIYKLQMQYGRVXHI-UHFFFAOYSA-M
MW173.24 g/mol
LogP-0.44
Rot. Bonds4

About N-[2-(2,2-dimethylpropylamino)ethyl]carbamate

N-[2-(2,2-dimethylpropylamino)ethyl]carbamate (PubChem CID 23156307) has the molecular formula C8H17N2O2- and a molecular weight of 173.24 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropylamino)ethyl]carbamate.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropylamino)ethyl]carbamate
PubChem CID23156307
Molecular FormulaC8H17N2O2-
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC NameN-[2-(2,2-dimethylpropylamino)ethyl]carbamate
SMILESCC(C)(C)CNCCNC(=O)[O-]
InChIInChI=1S/C8H18N2O2/c1-8(2,3)6-9-4-5-10-7(11)12/h9-10H,4-6H2,1-3H3,(H,11,12)/p-1
InChIKeyIYKLQMQYGRVXHI-UHFFFAOYSA-M
XLogP-0.44
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
methyl 4-(2,2-dimethylpropylamino)butanoate
CID 61168407
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 43401592
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
2-(2,2-dimethylpropylamino)acetyl chloride
CID 175069238
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526
N-[2-(2,2-dimethylbutylamino)ethyl]-2-methylpropanamide
CID 146594177
2-(3,3-dimethylbutylamino)ethylurea
CID 83109796
N-[3-(2,2-dimethylpropylamino)-2,2-dimethylpropyl]-2,2-dimethylpropanamide
CID 146550774

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropylamino)ethyl]carbamate?
The IUPAC name of N-[2-(2,2-dimethylpropylamino)ethyl]carbamate (CID 23156307) is N-[2-(2,2-dimethylpropylamino)ethyl]carbamate.
What is the SMILES notation for N-[2-(2,2-dimethylpropylamino)ethyl]carbamate?
The canonical SMILES for N-[2-(2,2-dimethylpropylamino)ethyl]carbamate is CC(C)(C)CNCCNC(=O)[O-].
What is the InChIKey of N-[2-(2,2-dimethylpropylamino)ethyl]carbamate?
The InChIKey is IYKLQMQYGRVXHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)6-9-4-5-10-7(11)12/h9-10H,4-6H2,1-3H3,(H,11,12)/p-1.
What are the key properties of N-[2-(2,2-dimethylpropylamino)ethyl]carbamate?
N-[2-(2,2-dimethylpropylamino)ethyl]carbamate has a molecular weight of 173.24 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropylamino)ethyl]carbamate is sourced from PubChem (CID 23156307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).