N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine

C19H36N2 — CID 79665309

IUPACN-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H36N2/c1-4-5-21(13-18(2,3)12-20)14-19-9-15-6-16(10-19)8-17(7-15)11-19/h15-17H,4-14,20H2,1-3H3
InChIKeyNEOSIDWHTZEHCT-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.90
Rot. Bonds7

About N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine

N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine (PubChem CID 79665309) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine
PubChem CID79665309
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H36N2/c1-4-5-21(13-18(2,3)12-20)14-19-9-15-6-16(10-19)8-17(7-15)11-19/h15-17H,4-14,20H2,1-3H3
InChIKeyNEOSIDWHTZEHCT-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-adamantylmethyl(propyl)amino]acetic acid
CID 54899206
2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667897
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667389
N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride
CID 2836011
N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662162
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
CID 114473392
3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol
CID 82849978
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79847083
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
CID 79661269

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine?
The IUPAC name of N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine (CID 79665309) is N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine?
The InChIKey is NEOSIDWHTZEHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-5-21(13-18(2,3)12-20)14-19-9-15-6-16(10-19)8-17(7-15)11-19/h15-17H,4-14,20H2,1-3H3.
What are the key properties of N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine?
N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine has a molecular weight of 292.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 79665309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).