1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine

C14H30N2O — CID 62436071

IUPAC1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-12(8-9-15-14(2,3)4)16(5)11-13-7-6-10-17-13/h12-13,15H,6-11H2,1-5H3
InChIKeyOREOKCFMUXGUSH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds6

About 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine

1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine (PubChem CID 62436071) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
PubChem CID62436071
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-12(8-9-15-14(2,3)4)16(5)11-13-7-6-10-17-13/h12-13,15H,6-11H2,1-5H3
InChIKeyOREOKCFMUXGUSH-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 62428882
1-N-tert-butyl-3-N-methyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 63705661
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81020024
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64728090
1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62435187
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pentane-2,4-diamine
CID 64708863
N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine
CID 55077844
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine (CID 62436071) is 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine is CC(CCNC(C)(C)C)N(C)CC1CCCO1.
What is the InChIKey of 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
The InChIKey is OREOKCFMUXGUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(8-9-15-14(2,3)4)16(5)11-13-7-6-10-17-13/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 62436071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).