4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine

C12H29N3O — CID 103387429

IUPAC4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCC(C)(C)N(C)C
InChIInChI=1S/C12H29N3O/c1-12(2,15(3)4)10-14-11(9-16-5)7-6-8-13/h11,14H,6-10,13H2,1-5H3
InChIKeyZDNNGSPYBFWGFV-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.67
Rot. Bonds9

About 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine

4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine (PubChem CID 103387429) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
PubChem CID103387429
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCC(C)(C)N(C)C
InChIInChI=1S/C12H29N3O/c1-12(2,15(3)4)10-14-11(9-16-5)7-6-8-13/h11,14H,6-10,13H2,1-5H3
InChIKeyZDNNGSPYBFWGFV-UHFFFAOYSA-N
XLogP0.67
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine with MolForge

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Related Compounds

tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246690
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate
CID 107245084
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
CID 107257458
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392
5-methoxy-4-N-(2-methylbut-3-yn-2-yl)pentane-1,4-diamine
CID 103390012
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070
4-N-(3-ethenoxypropyl)-5-methoxypentane-1,4-diamine
CID 103387634
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine (CID 103387429) is 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)NCC(C)(C)N(C)C.
What is the InChIKey of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine?
The InChIKey is ZDNNGSPYBFWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-12(2,15(3)4)10-14-11(9-16-5)7-6-8-13/h11,14H,6-10,13H2,1-5H3.
What are the key properties of 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine?
4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine has a molecular weight of 231.38 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).