1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine

C16H30N2 — CID 113407228

IUPAC1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine
SMILESCNCC(C)NCC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H30N2/c1-12(9-17-3)18-11-16-7-13-4-14(8-16)6-15(2,5-13)10-16/h12-14,17-18H,4-11H2,1-3H3
InChIKeyMEMBZYITZKIBMB-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.79
Rot. Bonds5

About 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine

1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine (PubChem CID 113407228) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine
PubChem CID113407228
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine
SMILESCNCC(C)NCC12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H30N2/c1-12(9-17-3)18-11-16-7-13-4-14(8-16)6-15(2,5-13)10-16/h12-14,17-18H,4-11H2,1-3H3
InChIKeyMEMBZYITZKIBMB-UHFFFAOYSA-N
XLogP2.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine
CID 123762788
(3-methyl-1-adamantyl)methanethiol
CID 91806704
(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine
CID 104867855
(2R)-2-(1-adamantylmethylamino)propan-1-ol
CID 7090704
2-(3-methyl-1-adamantyl)acetate
CID 5175229
1-[[(5R,7R)-3-methyl-1-adamantyl]methyl]-3-phenylthiourea
CID 98113298
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]butan-2-amine
CID 79987073
1-methyl-3-(methylsulfanylmethylsulfanylmethyl)adamantane
CID 91249241
N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine
CID 105028573
N-[(2R)-1-hydroxypropan-2-yl]-3-methyladamantane-1-carboxamide
CID 113402760
2-[methyl-[(3-methyl-1-adamantyl)methyl]amino]ethanol
CID 113408982
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]-2-methylpropan-1-amine
CID 79986614

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine (CID 113407228) is 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine is CNCC(C)NCC12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine?
The InChIKey is MEMBZYITZKIBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12(9-17-3)18-11-16-7-13-4-14(8-16)6-15(2,5-13)10-16/h12-14,17-18H,4-11H2,1-3H3.
What are the key properties of 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine?
1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine has a molecular weight of 250.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-[(3-methyl-1-adamantyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 113407228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).