N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine

C19H35N — CID 105028573

IUPACN,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine
SMILESCNC(CCCC(C)C)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H35N/c1-14(2)6-5-7-17(20-4)19-11-15-8-16(12-19)10-18(3,9-15)13-19/h14-17,20H,5-13H2,1-4H3
InChIKeyMRXGUNOXNYJTSF-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.01
Rot. Bonds6

About N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine

N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine (PubChem CID 105028573) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine
PubChem CID105028573
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine
SMILESCNC(CCCC(C)C)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H35N/c1-14(2)6-5-7-17(20-4)19-11-15-8-16(12-19)10-18(3,9-15)13-19/h14-17,20H,5-13H2,1-4H3
InChIKeyMRXGUNOXNYJTSF-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine
CID 104987277
N-methyl-1-(3-methyl-1-adamantyl)-3-methylsulfonylpropan-1-amine
CID 115848150
N-methyl-1-(3-methyl-1-adamantyl)hex-4-yn-1-amine
CID 105037117
N-methyl-1-(3-methyl-1-adamantyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993529
1-(3-methyl-1-adamantyl)-N-propylhex-5-en-1-amine
CID 104986903
N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025270
N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
CID 105028422
N,3-dimethyl-1-(3-methyl-1-adamantyl)but-2-en-1-amine
CID 105004462
1-(3,5-dimethyl-1-adamantyl)-4-methylpentan-1-amine
CID 79986867
1-(3-methyl-1-adamantyl)butan-1-amine
CID 115778291
[1-(1-adamantyl)-4-methylpentyl]hydrazine
CID 105214382
3-methyl-1-(3-methyl-1-adamantyl)hexan-1-amine
CID 115845746

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine?
The IUPAC name of N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine (CID 105028573) is N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine.
What is the SMILES notation for N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine?
The canonical SMILES for N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine is CNC(CCCC(C)C)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine?
The InChIKey is MRXGUNOXNYJTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-14(2)6-5-7-17(20-4)19-11-15-8-16(12-19)10-18(3,9-15)13-19/h14-17,20H,5-13H2,1-4H3.
What are the key properties of N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine?
N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(3-methyl-1-adamantyl)hexan-1-amine is sourced from PubChem (CID 105028573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).