N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine

C12H26N2O — CID 104856051

IUPACN'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
SMILESCC(C)(C)NCCCNC[C@H]1CCCO1
InChIInChI=1S/C12H26N2O/c1-12(2,3)14-8-5-7-13-10-11-6-4-9-15-11/h11,13-14H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyPRBYAGLVHASRJJ-LLVKDONJSA-N
MW214.35 g/mol
LogP1.53
Rot. Bonds6

About N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine

N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine (PubChem CID 104856051) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
PubChem CID104856051
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
SMILESCC(C)(C)NCCCNC[C@H]1CCCO1
InChIInChI=1S/C12H26N2O/c1-12(2,3)14-8-5-7-13-10-11-6-4-9-15-11/h11,13-14H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyPRBYAGLVHASRJJ-LLVKDONJSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.53
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'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
CID 109016044
N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81020024

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine (CID 104856051) is N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine is CC(C)(C)NCCCNC[C@H]1CCCO1.
What is the InChIKey of N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine?
The InChIKey is PRBYAGLVHASRJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)14-8-5-7-13-10-11-6-4-9-15-11/h11,13-14H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine?
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 104856051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).