(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine

C17H29N3O — CID 104660642

IUPAC(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)C1CN(C)CCCN1C
InChIInChI=1S/C17H29N3O/c1-4-12-21-16-9-6-5-8-14(16)17(18)15-13-19(2)10-7-11-20(15)3/h5-6,8-9,15,17H,4,7,10-13,18H2,1-3H3
InChIKeyPRQCQQVQPJTRAW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.11
Rot. Bonds5

About (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine

(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine (PubChem CID 104660642) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine
PubChem CID104660642
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)C1CN(C)CCCN1C
InChIInChI=1S/C17H29N3O/c1-4-12-21-16-9-6-5-8-14(16)17(18)15-13-19(2)10-7-11-20(15)3/h5-6,8-9,15,17H,4,7,10-13,18H2,1-3H3
InChIKeyPRQCQQVQPJTRAW-UHFFFAOYSA-N
XLogP2.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1,4-dimethylpiperazin-2-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105247174
[2-(2-methoxyethoxy)phenyl]-(4-methylmorpholin-2-yl)methanamine
CID 104660396
(1,1-dioxothian-2-yl)-(2-propoxyphenyl)methanamine
CID 105035828
1,4-diazabicyclo[2.2.2]octan-2-yl-(2-ethoxyphenyl)methanamine
CID 79974142
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433840
2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
CID 115415033
1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 114730606
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol
CID 82105545
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine
CID 83183174

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine (CID 104660642) is (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)C1CN(C)CCCN1C.
What is the InChIKey of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine?
The InChIKey is PRQCQQVQPJTRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-12-21-16-9-6-5-8-14(16)17(18)15-13-19(2)10-7-11-20(15)3/h5-6,8-9,15,17H,4,7,10-13,18H2,1-3H3.
What are the key properties of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine?
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine has a molecular weight of 291.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 104660642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).