N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine

C15H30N2O — CID 103071055

IUPACN-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)CCOCC1CC1
InChIInChI=1S/C15H30N2O/c1-13(10-16-15(2,3)4)11-17(5)8-9-18-12-14-6-7-14/h14,16H,1,6-12H2,2-5H3
InChIKeyLTYWHWSRLBEBBB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds9

About N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine

N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103071055) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103071055
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)CCOCC1CC1
InChIInChI=1S/C15H30N2O/c1-13(10-16-15(2,3)4)11-17(5)8-9-18-12-14-6-7-14/h14,16H,1,6-12H2,2-5H3
InChIKeyLTYWHWSRLBEBBB-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432
4-[2-[(tert-butylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
CID 103071291
1-cyclopentyl-2-[2-(cyclopropylmethoxy)ethyl-methylamino]ethanone
CID 104750980
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
3-[2-(cyclopropylmethoxy)ethyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821123
N-tert-butyl-N'-butyl-N'-cyclopropyl-2-methylidenepropane-1,3-diamine
CID 103069808
N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103069309
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
N-[2-(cyclopropylmethoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62598711
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430
1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505898

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103071055) is N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CNC(C)(C)C)CN(C)CCOCC1CC1.
What is the InChIKey of N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is LTYWHWSRLBEBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(10-16-15(2,3)4)11-17(5)8-9-18-12-14-6-7-14/h14,16H,1,6-12H2,2-5H3.
What are the key properties of N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103071055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).