N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane

C17H39N3O2 — CID 144600542

IUPACN,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane
SMILESCC.CCC(C)CCN(C)CC1CCCO1.CNC(=O)NC
InChIInChI=1S/C12H25NO.C3H8N2O.C2H6/c1-4-11(2)7-8-13(3)10-12-6-5-9-14-12;1-4-3(6)5-2;1-2/h11-12H,4-10H2,1-3H3;1-2H3,(H2,4,5,6);1-2H3
InChIKeyOKGYHSUKLZGPIR-UHFFFAOYSA-N
MW317.52 g/mol
LogP3.10
Rot. Bonds6

About N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane

N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane (PubChem CID 144600542) has the molecular formula C17H39N3O2 and a molecular weight of 317.52 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane
PubChem CID144600542
Molecular FormulaC17H39N3O2
Molecular Weight317.52 g/mol
Exact Mass317.30
IUPAC NameN,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane
SMILESCC.CCC(C)CCN(C)CC1CCCO1.CNC(=O)NC
InChIInChI=1S/C12H25NO.C3H8N2O.C2H6/c1-4-11(2)7-8-13(3)10-12-6-5-9-14-12;1-4-3(6)5-2;1-2/h11-12H,4-10H2,1-3H3;1-2H3,(H2,4,5,6);1-2H3
InChIKeyOKGYHSUKLZGPIR-UHFFFAOYSA-N
XLogP3.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[methyl(oxolan-2-ylmethyl)amino]butanamide
CID 63054294
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64825351
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
CID 63029287
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 63068837
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane?
The IUPAC name of N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane (CID 144600542) is N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane.
What is the SMILES notation for N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane?
The canonical SMILES for N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane is CC.CCC(C)CCN(C)CC1CCCO1.CNC(=O)NC.
What is the InChIKey of N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane?
The InChIKey is OKGYHSUKLZGPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C3H8N2O.C2H6/c1-4-11(2)7-8-13(3)10-12-6-5-9-14-12;1-4-3(6)5-2;1-2/h11-12H,4-10H2,1-3H3;1-2H3,(H2,4,5,6);1-2H3.
What are the key properties of N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane?
N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane has a molecular weight of 317.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine;1,3-dimethylurea;ethane is sourced from PubChem (CID 144600542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).