(5-amino-6,6-dimethylheptyl) carbamate

C10H22N2O2 — CID 90354385

IUPAC(5-amino-6,6-dimethylheptyl) carbamate
SMILESCC(C)(C)C(N)CCCCOC(N)=O
InChIInChI=1S/C10H22N2O2/c1-10(2,3)8(11)6-4-5-7-14-9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyUFDRTDPFYYEIHV-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.63
Rot. Bonds5

About (5-amino-6,6-dimethylheptyl) carbamate

(5-amino-6,6-dimethylheptyl) carbamate (PubChem CID 90354385) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (5-amino-6,6-dimethylheptyl) carbamate.

Molecular Properties

Compound Name(5-amino-6,6-dimethylheptyl) carbamate
PubChem CID90354385
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(5-amino-6,6-dimethylheptyl) carbamate
SMILESCC(C)(C)C(N)CCCCOC(N)=O
InChIInChI=1S/C10H22N2O2/c1-10(2,3)8(11)6-4-5-7-14-9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyUFDRTDPFYYEIHV-UHFFFAOYSA-N
XLogP1.63
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.63
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

7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
14-methylpentadecyl carbamate
CID 175375850
16-methylheptadecyl carbamate
CID 175072884
9-carbamoyloxynonyl carbamate
CID 87883969
(4S)-4-amino-5,5-dimethylhexanamide
CID 171725194
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
4-tert-butyldodec-11-ynyl carbamate
CID 170982919
6-carbamoyloxyoctyl carbamate
CID 54036926
octacosyl carbamate
CID 160925840
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
ethane;pentyl carbamate
CID 142339635
2,2-dimethyldodecan-3-amine
CID 43370499

Frequently Asked Questions

What is the IUPAC name of (5-amino-6,6-dimethylheptyl) carbamate?
The IUPAC name of (5-amino-6,6-dimethylheptyl) carbamate (CID 90354385) is (5-amino-6,6-dimethylheptyl) carbamate.
What is the SMILES notation for (5-amino-6,6-dimethylheptyl) carbamate?
The canonical SMILES for (5-amino-6,6-dimethylheptyl) carbamate is CC(C)(C)C(N)CCCCOC(N)=O.
What is the InChIKey of (5-amino-6,6-dimethylheptyl) carbamate?
The InChIKey is UFDRTDPFYYEIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)8(11)6-4-5-7-14-9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13).
What are the key properties of (5-amino-6,6-dimethylheptyl) carbamate?
(5-amino-6,6-dimethylheptyl) carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6,6-dimethylheptyl) carbamate is sourced from PubChem (CID 90354385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).