N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine

C18H32N2O — CID 62261273

IUPACN-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C18H32N2O/c1-6-18(5,13-19-17(2,3)4)14-20(15-9-10-15)12-16-8-7-11-21-16/h7-8,11,15,19H,6,9-10,12-14H2,1-5H3
InChIKeyKNOWQCOZJIOLRQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.05
Rot. Bonds8

About N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine

N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine (PubChem CID 62261273) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
PubChem CID62261273
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C18H32N2O/c1-6-18(5,13-19-17(2,3)4)14-20(15-9-10-15)12-16-8-7-11-21-16/h7-8,11,15,19H,6,9-10,12-14H2,1-5H3
InChIKeyKNOWQCOZJIOLRQ-UHFFFAOYSA-N
XLogP4.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine with MolForge

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Related Compounds

N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62259598
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62263510
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
CID 79630506
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62569642
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 114292137
ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate
CID 80549181

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine (CID 62261273) is N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(Cc1ccco1)C1CC1.
What is the InChIKey of N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine?
The InChIKey is KNOWQCOZJIOLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-18(5,13-19-17(2,3)4)14-20(15-9-10-15)12-16-8-7-11-21-16/h7-8,11,15,19H,6,9-10,12-14H2,1-5H3.
What are the key properties of N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine?
N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 62261273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).