phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate

C13H20N2O2 — CID 43137069

IUPACphenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCN)C(=O)Oc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(2)15(10-6-9-14)13(16)17-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,14H2,1-2H3
InChIKeyMXACKGNPVUYBRK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.24
Rot. Bonds5

About phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate

phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate (PubChem CID 43137069) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namephenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate
PubChem CID43137069
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namephenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCN)C(=O)Oc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(2)15(10-6-9-14)13(16)17-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,14H2,1-2H3
InChIKeyMXACKGNPVUYBRK-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276
2-[butan-2-yl(phenoxycarbonyl)amino]acetic acid
CID 54925597
6-amino-2-[bis(phenoxycarbonyl)amino]hexanoic acid
CID 76503295
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
CID 61068434
phenyl N-(2-aminoethyl)-N-(1-amino-3-oxohenicosyl)carbamate
CID 174415618
phenyl N-butyl-N-methylcarbamate
CID 564973
N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
CID 43319284
phenyl 4-aminobutanoate
CID 54753951

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate?
The IUPAC name of phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate (CID 43137069) is phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate?
The canonical SMILES for phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate is CC(C)N(CCCN)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate?
The InChIKey is MXACKGNPVUYBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(2)15(10-6-9-14)13(16)17-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,14H2,1-2H3.
What are the key properties of phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate?
phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate has a molecular weight of 236.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 43137069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).