1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate

C14H32N4O2 — CID 90943523

IUPAC1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate
SMILESCC(CN)OC(=O)N(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C14H32N4O2/c1-13(12-15)20-14(19)18(10-6-8-16(2)3)11-7-9-17(4)5/h13H,6-12,15H2,1-5H3
InChIKeyYMBBRHZQHFSZQT-UHFFFAOYSA-N
MW288.44 g/mol
LogP0.68
Rot. Bonds10

About 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate

1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate (PubChem CID 90943523) has the molecular formula C14H32N4O2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Name1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate
PubChem CID90943523
Molecular FormulaC14H32N4O2
Molecular Weight288.44 g/mol
Exact Mass288.25
IUPAC Name1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate
SMILESCC(CN)OC(=O)N(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C14H32N4O2/c1-13(12-15)20-14(19)18(10-6-8-16(2)3)11-7-9-17(4)5/h13H,6-12,15H2,1-5H3
InChIKeyYMBBRHZQHFSZQT-UHFFFAOYSA-N
XLogP0.68
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992814
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
CID 87536097
ditridecan-7-yl 10-[3-(dimethylamino)propyl-hexylcarbamoyl]oxynonadecanedioate
CID 176847337
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 113307599
N-(3-amino-3-sulfanylidenepropyl)-N-[3-(dimethylamino)propyl]-2-methoxyacetamide
CID 82104066
ditridecan-7-yl 10-[3-(dimethylamino)propyl-(3-heptan-4-yloxy-3-oxopropyl)carbamoyl]oxynonadecanedioate
CID 176847473
ditridecan-7-yl 10-[3-(dimethylamino)propyl-(4-oxo-4-propoxybutyl)carbamoyl]oxynonadecanedioate
CID 176847487
ditridecan-7-yl 10-[3-(dimethylamino)propyl-(6-oxo-6-propoxyhexyl)carbamoyl]oxynonadecanedioate
CID 176847348
ditridecan-7-yl 10-[3-(dimethylamino)propyl-(3-hexoxy-3-oxopropyl)carbamoyl]oxynonadecanedioate
CID 176847483

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate?
The IUPAC name of 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate (CID 90943523) is 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate.
What is the SMILES notation for 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate?
The canonical SMILES for 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate is CC(CN)OC(=O)N(CCCN(C)C)CCCN(C)C.
What is the InChIKey of 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate?
The InChIKey is YMBBRHZQHFSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2/c1-13(12-15)20-14(19)18(10-6-8-16(2)3)11-7-9-17(4)5/h13H,6-12,15H2,1-5H3.
What are the key properties of 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate?
1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate has a molecular weight of 288.44 g/mol, XLogP of 0.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 90943523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).